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Acta Crystallographica Section A: Foundations and Advances logoLink to Acta Crystallographica Section A: Foundations and Advances
. 2021 Feb 18;77(Pt 2):138–148. doi: 10.1107/S2053273320016769

Coordination sequences of crystals are of quasi-polynomial type

Yusuke Nakamura a,*, Ryotaro Sakamoto b, Takafumi Mase a, Junichi Nakagawa a
PMCID: PMC7941273  PMID: 33646200

It is proved that the coordination sequence of the graph obtained from a crystal is of quasi-polynomial type, as had been postulated by Grosse-Kunstleve et al. [Acta Cryst. (1996), A52, 879–889] in their study of coordination sequences of zeolites.

Keywords: coordination sequences, graph theory, Hilbert polynomial, monoid theory

Abstract

The coordination sequence of a graph measures how many vertices the graph has at each distance from a fixed vertex and is a generalization of the coordination number. Here it is proved that the coordination sequence of the graph obtained from a crystal is of quasi-polynomial type, as had been postulated by Grosse-Kunstleve et al. [Acta Cryst. (1996), A52, 879–889].

1. Introduction  

For a graph Γ and a fixed vertex Inline graphic of Γ, and for a non-negative integer n, the coordination sequence Inline graphic is defined as the number of vertices of Γ at distance n from Inline graphic. For example, the first few terms of the coordination sequence of the graph in Fig. 1 are Inline graphic, Inline graphic, Inline graphic, Inline graphic. That is, the graph has only one point at distance 0 from the origin (by definition), has four vertices at distance 1, and so on. An easy observation shows that in this case we have Inline graphic (Inline graphic).

Figure 1.

Figure 1

Graph with a Inline graphic translation symmetry. The number attached to each vertex represents the graph distance from the origin O.

In this paper, we consider a periodic graph Γ in the following sense:

(A) Γ is a (possibly directed) graph with a free Inline graphic action such that the quotient graph Inline graphic is finite.

This assumption is motivated from the crystallographic viewpoint. Our main example is a graph obtained by a crystal, i.e. the vertices of Γ are the set of atoms of the crystal, and to each atomic bond connecting two atoms u and v, we associate an edge connecting the vertices u and v. Then, the number Inline graphic is nothing but the usual coordination number and the coordination sequence Inline graphic can be thought of as its generalization.

The coordination sequences of periodic graphs are predicted to be of quasi-polynomial type (see Definition 1.2) by Grosse-Kunstleve et al. (1996). After that, various mathematical methods to calculate coordination sequences have been developed and they are actually calculated in many specific cases as in the work of Conway & Sloane (1997), Eon (2002, 2012), Goodman-Strauss & Sloane (2019), O’Keeffe (1995, 1998), Shutov & Maleev (2018, 2019, 2020).

The purpose of this paper is to give the affirmative answer to the question posed by Grosse-Kunstleve et al. (1996) (see Theorem 2.2 for the more general statement).

Theorem 1.1

The coordination sequence of a graph satisfying the condition (A) is of quasi-polynomial type. In particular, its generating function is rational. Furthermore, it becomes of polynomial type if the quotient graph Inline graphic has only one vertex.

Here, we recall the definition of functions of quasi-polynomial type.

Definition 1.2

A function Inline graphic is called a quasi-polynomial if there exist an integer Inline graphic and polynomials Inline graphic with the following condition:

(i) For any Inline graphic, the equality Inline graphic holds if N divides Inline graphic.

We say that a function Inline graphic is of quasi-polynomial type if there exist an integer Inline graphic and a quasi-polynomial Inline graphic such that Inline graphic holds for any integer Inline graphic. As a special case, we say that f is of polynomial type when Inline graphic.

The paper is organized as follows: in Section 2, we prove Theorem 1.1 in more general settings (Theorem 2.2). The key ingredient of the proof of Theorem 2.2 is monoid theory in abstract algebra. Readers unfamiliar with monoid theory are advised to read Appendix A first, where we summarize definitions and propositions in monoid theory with typical examples. In Appendix A , we also prove Theorem A12, which is a key to the proof of Theorem 2.2. In Section 3, we explain how to apply Theorem 2.2 to the graph obtained from a crystal, and we give some examples.

2. Coordination sequences of graphs with abelian group action  

In this paper, a graph Inline graphic means a directed simple graph, i.e. V is the set of vertices and Inline graphic is the set of edges. We say that a graph Inline graphic is finite when both V and E are finite sets.

Remark 2.1

A simple undirected graph can be regarded as a graph in the sense above. In fact, since a simple undirected graph Inline graphic consists of sets Inline graphic and Inline graphic, we obtain a graph Γ from Inline graphic by setting Inline graphic and Inline graphic. Here the symbol Inline graphic is employed to denote the cardinality of the set A.

For vertices Inline graphic, we denote by Inline graphic the length of a shortest directed path in E from x to y. If there is no directed path connecting x and y, then the distance Inline graphic is defined as infinite.

Let H be a group. We say that H acts on Inline graphic when H acts on both V and E and these actions are compatible, i.e. we assume that H acts on V and the action preserves the adjacency. We then obtain the quotient graph Inline graphic. We say that an H-action on Γ is free when any element of H, except for the unit, does not fix a vertex. For more detail, we refer the reader to Eon (2012).

Theorem 2.2

Let Inline graphic be a graph and let Inline graphic be a vertex. Suppose that an abelian group H acts freely on Γ and its quotient graph Inline graphic is finite. Then the function

Theorem 2.2

is of quasi-polynomial type. Hence, its difference

Theorem 2.2

is also of quasi-polynomial type. In particular, their generating functions are rational. Moreover, both the functions are of polynomial type if Inline graphic has only one vertex.

Remark 2.3

It is worth emphasizing that we consider not only an undirected graph, but also a directed graph. Hence Theorem 2.2 can be used for a graph whose edges have a direction. See Example 3.5 for a concrete example.

First, we may assume that there exists an abelian group G such that H is a subgroup of G and Inline graphic as a set. In fact, since the H-action on V is free, we have a bijective map Inline graphic and we can identify Inline graphic as sets. Let Inline graphic be the cyclic group with order Inline graphic. Then, we can identify Inline graphic as sets, and hence we may take Inline graphic.

Remark 2.4

We note that if Inline graphic as in Theorem 1.1, then we may also take Inline graphic. Indeed, for Inline graphic, if Inline graphic satisfy Inline graphic for any Inline graphic, then V can be realized as Inline graphic. Here we use the symbol Inline graphic to denote the disjoint union of sets.

We regard the abelian group G as an additive group, and denote by Inline graphic the identity element of G. For subsets Inline graphic and an element Inline graphic, we put

2.

Since Inline graphic, we may assume that Inline graphic by translation. Since Inline graphic is a finite set, there is a finite subset F of V such that Inline graphic and

2.

holds.

Definition 2.5

(1) For any two elements Inline graphic, we put

Definition 2.5

Since the map Inline graphic is injective, the finiteness of the set Inline graphic implies that the set Inline graphic is finite.

(2) For elements Inline graphic with Inline graphic, we put

Definition 2.5

By convention, we define Inline graphic when Inline graphic. Note that Inline graphic is also a finite set since each Inline graphic is a finite set.

Remark 2.6

Let Inline graphic. We say that a vertex Inline graphic is of α-type if there is an element Inline graphic such that Inline graphic. For an α-type vertex Inline graphic and Inline graphic, the vertex Inline graphic is of β-type and Inline graphic. In other words, Inline graphic is the set of trans­lations from an α-type vertex v to a β-type vertex connected to v. Therefore, for an Inline graphic-type vertex Inline graphic and Inline graphic, the vertex Inline graphic is of Inline graphic-type and there is a path from v to Inline graphic of length m. For a concrete example of Inline graphic and Inline graphic, we refer the reader to Example 3.3.

Lemma 2.7

For elements Inline graphic with Inline graphic, it follows that

Lemma 2.7

Proof

This lemma is obvious by definition (cf. Remark 2.6).

For a subset Inline graphic, we define a monoid Inline graphic as a submonoid of Inline graphic. We note that Inline graphic admits a monoid structure by regarding Inline graphic and G as monoids by their addition [cf. Example A3(3)].

Definition 2.8

Let S be a subset of F. We define Inline graphic as the submonoid of Inline graphic generated by the elements in the set

Definition 2.8

Note that Inline graphic admits a graded monoid structure by the first projection Inline graphic, i.e. the degree of Inline graphic is defined to be d [cf. Definition A9(1)].

Remark 2.9

For a generator Inline graphic of Inline graphic, there exists a path

Remark 2.9

on Γ of length Inline graphic such that Inline graphic is of Inline graphic-type for some Inline graphic, Inline graphic and Inline graphic. Although the sum of generators is simply defined by the addition of Inline graphic, it is not possible in general to interpret the sum as the procedure to connect paths, even if one is allowed to translate each path and to change the order of segments at will. For example, if Inline graphic, Inline graphic and Inline graphic, then Inline graphic does not always correspond to a path on Γ. See Example 3.3 for a concrete example.

Lemma 2.10

For a non-empty subset S of F, the monoid Inline graphic is finitely generated. More precisely, Inline graphic is generated by elements with degree at most Inline graphic.

Proof

Take an element Inline graphic for some Inline graphic with Inline graphic and Inline graphic. Since Inline graphic, one has Inline graphic for some Inline graphic, and hence

Proof

This fact shows that Inline graphic is generated by elements with degree at most Inline graphic. Since there exist only finitely many such elements, Inline graphic is finitely generated.

Next, for a subset Inline graphic and Inline graphic, we define Inline graphic as a subset of Inline graphic, which is proved to be a finitely generated Inline graphic-module in Lemma 2.13.

Definition 2.11

(1) For any two elements Inline graphic, we define the set Inline graphic by

Definition 2.11

(2) Let S be a non-empty subset of F and Inline graphic. We define the set Inline graphic by

Definition 2.11

(3) For a subset Inline graphic and Inline graphic, we define Inline graphic by

Definition 2.11

Remark 2.12

(1) By definition, for an element Inline graphic, the vertex y is of β-type and there is a path from α to y of length at most d. In other words, the set Inline graphic consists of the β-type vertices whose distance from α is less than or equal to d.

(2) If a β-type vertex y is in Inline graphic, then we have a special path from α to y, namely, there exists a path

Remark 2.12

of length Inline graphic such that Inline graphic is of Inline graphic-type for some Inline graphic and Inline graphic. Note that this special path must visit γ-type vertices at least once for each γ in S, which plays an essential role in the proof of Lemma 2.13. The set Inline graphic consists of the β-type vertices with such a special path. See Example 3.3 for a concrete example.

Lemma 2.13

Let S be a non-empty subset of F and let Inline graphic. Then, Inline graphic is a finitely generated graded Inline graphic-module, where the graded structure of Inline graphic is induced by the first projection Inline graphic.

Proof

First, we shall prove that Inline graphic is a graded Inline graphic-module, i.e. Inline graphic holds for Inline graphic [cf. Definition A9(2)]. Since each element of Inline graphic can be written as the sum of generators of the form in Definition 2.8, it is sufficient to show that any generator Inline graphic of Inline graphic of the form in Definition 2.8 and any element Inline graphic satisfy Inline graphic. Since Inline graphic is a generator of the form in Definition 2.8, we have Inline graphic for some Inline graphic with Inline graphic and Inline graphic. Moreover, by the definition of Inline graphic, we have Inline graphic for some Inline graphic with Inline graphic satisfying Inline graphic, Inline graphic and Inline graphic.

Since Inline graphic, there exists Inline graphic such that Inline graphic. Then, we obtain

Proof

which proves Inline graphic. Hence, we have Inline graphic and thus Inline graphic is a graded Inline graphic-module.

Next we shall see that Inline graphic is generated by elements with degree at most Inline graphic. Let Inline graphic be a sequence with Inline graphic, Inline graphic, Inline graphic and Inline graphic. Since Inline graphic, there exist Inline graphic and a subset Inline graphic such that Inline graphic and Inline graphic holds for any Inline graphic.

Here we claim that there exist Inline graphic with Inline graphic such that Inline graphic.

Let Inline graphic and let Inline graphic be the elements of Λ. Since Inline graphic, for each Inline graphic, we can take Inline graphic with Inline graphic such that δ appears among

Proof

Since Inline graphic, we can take

Proof

Then Inline graphic and Inline graphic satisfy the claim.

Then the inclusion

Proof

shows that an element of Inline graphic of degree larger than Inline graphic can be written by the sum of an element of Inline graphic of lower degree and an element of Inline graphic. Therefore, Inline graphic is generated by elements with degree at most Inline graphic. Since there exist only finitely many such elements, Inline graphic is finitely generated.

Lemma 2.14

Let Inline graphic be an integer. Then the following claims are valid.

(1) One has

Lemma 2.14

(2) For any element Inline graphic, one has

Lemma 2.14

Here S runs over the subsets of F containing 0 and α.

Proof

Claim (2) is obvious by definition. We only give a proof of claim (1). The inclusion

Proof

follows from Lemma 2.7. Let us show the opposite inclusion. Take an element Inline graphic with Inline graphic. By the definition of the distance, there are edges Inline graphic with Inline graphic and Inline graphic. For each i, the unique element Inline graphic is determined by Inline graphic. Then Inline graphic, and so one has

Proof

Since Inline graphic, we conclude Inline graphic.

Proof of Theorem 2.2

For an element Inline graphic, put Inline graphic and write Inline graphic for its power set. Then Lemma 2.14 and the inclusion–exclusion principle imply

Proof of Theorem 2.2

Hence it is enough to show that the function

Proof of Theorem 2.2

is of quasi-polynomial type.

Lemma 2.10 and Proposition A6(3) show that Inline graphic is a finitely generated graded monoid. Furthermore, Lemma 2.13 and Theorem A12 show that Inline graphic is a finitely generated graded (Inline graphic)-module. Hence Proposition A11 implies that the function Inline graphic is of quasi-polynomial type, which completes the proof of the first assertion.

By Lemma 2.10, the monoid Inline graphic is generated by elements of degree one if Inline graphic. Therefore if Inline graphic, the functions in Theorem 2.2 turn out to be actually of polynomial type, which completes the proof of the second assertion.

Remark 2.15

It is natural to ask how to calculate the quasi-polynomials in Theorem 2.2 from the graph Γ in some concrete situations.

By the argument in this section, in order to determine the quasi-polynomials, it is sufficient to determine the Hilbert polynomial of Inline graphic for each Λ. If we know generators of the monoid Inline graphic and the module Inline graphic, then the Hilbert polynomial of Inline graphic can be calculated in principle via a free resolution (cf. Bruns & Herzog, 1993, Lemma 4.1.13), and can be computed by the standard computational commutative algebra packages Singular and Macaulay2. Actually in Example 3.1, Example 3.2 and the face-centered cubic system in Example 3.4, generators of Inline graphic and Inline graphic are easily computed. Therefore, in these cases, it is not hard to calculate their Hilbert polynomials from the material in this section. It should be noted, however, that in many cases, even when generators are known, it is easier to calculate their coordination sequences by predicting the region that consists of the vertices with distance at most n and proving it by induction.

Computing generators of Inline graphic and Inline graphic is a more difficult problem in general situations. Indeed, Theorem A12 or even its proof does not give a procedure to compute their generators. For example, as we will see later, in the case of Example 3.3, computing generators of Inline graphic and Inline graphic by hand is not easy at all, whereas the graph itself looks simple.

3. Examples  

In this section, we explain using some examples how to apply Theorem 2.2 to the graph obtained from crystals. In Example 3.3, we see the complicated notations defined in the previous section. It should be noted in advance, however, that although Theorem 2.2 guarantees that the coordination sequence of a crystal is of quasi-polynomial type, it is not practical in general to concretely calculate the whole sequence through the theorem or its proof (see Remark 2.15). Throughout this section, we take G as a Euclidean space so that the reader can easily visualize examples.

Example 3.1

One of the simplest examples of crystal structure is the square tiling. Let Inline graphic, Inline graphic and let

Example 3.1

where Inline graphic and Inline graphic. It is obvious that this graph satisfies all the assumptions of Theorem 2.2. An easy observation shows that the coordination sequence of this graph from the origin is Inline graphic, the general term of which can be written as Inline graphic, Inline graphic (Inline graphic).

Let us briefly look at the notations in the previous section. In this case, the finite set F used in Section 2 consists of the origin O. To be precise, since Inline graphic, we have Inline graphic. Hence, the Inline graphic is the graded monoid generated by Inline graphic, Inline graphic and Inline graphic, which coincides with the Inline graphic since Inline graphic.

In contrast, in the case where F consists of two or more points, calculating the coordination sequence by this procedure is much more complicated as seen in Remark 2.15 and Example 3.3.

Example 3.2

Let Inline graphic be the graph corresponding to the hexagonal tiling as in Fig. 2. Let Inline graphic be the vectors corresponding to the edges from O, respectively. Note that these vectors satisfy Inline graphic. Let Inline graphic and Inline graphic. Then, V and E are H-invariant and the quotient graph Inline graphic is finite. Since Inline graphic, we have Inline graphic. An easy observation shows that the coordination sequence of this graph is Inline graphic, the general term of which can be written as Inline graphic, Inline graphic (Inline graphic).

Figure 2.

Figure 2

Hexagonal tiling. The number attached to each vertex represents the graph distance from the origin O.

Example 3.3

Let us see the notations used in Section 2 on an example. Let Inline graphic and Inline graphic. Let

Example 3.3

and let

Example 3.3

where

Example 3.3

Then, the graph Inline graphic is as in Fig. 3.

The group H acts freely on Γ as translations and the quotient graph Inline graphic has three vertices. The F in Section 2 can be taken as Inline graphic, where Inline graphic, Inline graphic, Inline graphic. Then, the Inline graphic for each Inline graphic in Definition 2.5 is

Example 3.3

and, for example, one can compute

Example 3.3

Next, let us see generators of the monoids and the modules in Definition 2.8 and Definition 2.11, respectively. For each subset Inline graphic satisfying Inline graphic, a generator of the monoid Inline graphic can be computed as

Example 3.3

i.e. for example, one can take

Example 3.3

as a generator of the monoid Inline graphic. For each subset Inline graphic satisfying Inline graphic and for each Inline graphic, a generator of the Inline graphic-module Inline graphic can be taken as

Example 3.3

For example, Inline graphic contains Inline graphic, which corresponds to the path

Example 3.3

of length 6. Indeed, Inline graphic decomposes as

Example 3.3

where Inline graphic and Inline graphic is contained in the generator described above.

Using these data, it is possible in principle to calculate the coordination sequence of the graph. The actual calculation is, however, extremely laborious and shall be omitted in this paper. The coordination sequence of this graph is obtained by Wakatsuki (2018) as

Example 3.3

which is not of polynomial type but of quasi-polynomial type.

Note that Γ has another simple realization on Inline graphic as in Fig. 4. Since the coordination sequence depends only on its abstract graph structure, these two graphs have the same coordination sequence. As seen in this example, the choice of a realization of a graph is not relevant to Theorem 1.1.

Figure 3.

Figure 3

Graph with a Inline graphic-translation symmetry. The number attached to each vertex represents the graph distance from the origin O. The color of each vertex represents the equivalence class in Inline graphic.

Figure 4.

Figure 4

Another realization of the graph in Fig. 3. This graph can be obtained by adding vertices and edges to the graph in Fig. 2. If Inline graphic is a vertex of a hexagon, then the graph distance between Inline graphic and O is exactly the same as that in Example 3.2.

Example 3.4

Let us consider the graphs corresponding to crystal structures of dimension 3. These graphs have such a translation symmetry that the corresponding quotient graph is finite. Therefore, it follows from Theorem 1.1 that the coordination sequences of these graphs are of quasi-polynomial type. It should be stressed that, by definition, any crystal structure of any dimension falls into this category.

Let us consider as an example the graph corresponding to the face-centered cubic system. Let Inline graphic = Inline graphic, Inline graphic = Inline graphic = Inline graphic and

Example 3.4

where Inline graphic, Inline graphic, Inline graphic and the signs in the definition of E are arbitrary. Then, the graph Inline graphic corresponds to the face-centered cubic system. It is clear by definition that H acts on Γ and the quotient is finite. Note that while the H defined above is the largest translation symmetry of this system, it might be more natural to take Inline graphic when one considers crystal structure. Even in that case, the graph Γ has an H-action and the quotient is finite. As seen in this example, the choice of a unit cell is not relevant to Theorem 1.1.

Example 3.5

We give one of the simplest examples of a periodic directed graph (one should compare this with Example 3.1). Let Inline graphic, Inline graphic and let

Example 3.5

where Inline graphic and Inline graphic. An easy observation shows that the coordination sequence of this graph from the origin is Inline graphic, the general term of which can be written as Inline graphic (Inline graphic).

In this case, the finite set F used in Section 2 consists of the origin O. To be precise, since Inline graphic, we have Inline graphic. Hence, the Inline graphic is the graded monoid generated by Inline graphic, Inline graphic and Inline graphic, which coincides with the Inline graphic since Inline graphic.

Example 3.6

We give one of the simplest examples of a periodic graph with H having a torsion. Let Inline graphic and Inline graphic. Let

Example 3.6

and let

Example 3.6

where

Example 3.6

Then, it is obvious that Inline graphic and Inline graphic satisfy all the assumptions of Theorem 2.2. In this case, we have Inline graphic and Inline graphic.

The graph Γ also admits a Inline graphic-action as follows. Let Inline graphic, where e is the identity element of Inline graphic. We define a Inline graphic-action on V by the map Inline graphic satisfying

Example 3.6

Then, it is easy to see that the set E of edges is stable under the Inline graphic-action, and that ι commutes with the Inline graphic-action. Therefore the product Inline graphic acts on Γ. Then, Inline graphic and H also satisfy all the assumptions of Theorem 2.2, and we have Inline graphic in this case. Therefore, according to Theorem 2.2, the coordination sequence of this graph should not only be of quasi-polynomial type, but also of polynomial type.

Actually, an easy observation shows that the coordination sequence of this graph from the origin is Inline graphic, the general term of which can be written as Inline graphic, Inline graphic, Inline graphic (Inline graphic).

4. Conclusion  

In this paper, we proved that if a graph Γ has a free Inline graphic-action such that the quotient Inline graphic is finite, then the coordination sequence of Γ must be of quasi-polynomial type (Theorem 1.1 and Theorem 2.2). As we mentioned in Example 3.4, Theorem 2.2 can be applied to all crystals, which by definition have such a translation symmetry. It should be noted, however, that except for some simple cases, Theorem 2.2 or even its proof does not give a specific procedure to concretely calculate coordination sequences (Remark 2.15). Establishing a systematic method to calculate coordination sequences from an algebraic perspective is left for a future work. The first step would be to determine the period N and the number M in Definition 1.2. Once that is done, we can determine the quasi-polynomial by just calculating the first Inline graphic terms.

Acknowledgments

We thank Professors Atsushi Ito, Masanori Kobayashi, Ryoko Oishi-Tomiyasu and Motoko Kato for many discussions. We also thank the referees, whose comments and suggestions have greatly improved the article.

Appendix A. On finitely generated monoids

In this appendix, we first recall some basic definitions and results on finitely generated monoids [for more detail we refer the reader to Bruns & Gubeladze (2009)]. Then, we will prove Theorem A12, which plays an essential role in the proof of Theorem 2.2.

A1. Monoids and modules  

In this paper, all the monoids considered are commutative, that is, a monoid is a commutative semi-group with the unit element 0, and the operation is written additively.

Definition A1

(1) A monoid is a set M with a binary operation Inline graphic with the following three conditions:

(i) Inline graphic holds for Inline graphic.

(ii) Inline graphic holds for any Inline graphic.

(iii) There exists an element Inline graphic such that Inline graphic holds for any Inline graphic.

(2) A monoid M is called integral when it has the cancelation property, i.e. when Inline graphic implies Inline graphic for all Inline graphic.

(3) A submonoid of a monoid M is a subset Inline graphic such that N contains the unit of M and is closed under the additive operation of M.

(4) A map Inline graphic between two monoids is called a homomorphism when Inline graphic and Inline graphic hold for any Inline graphic.

(5) Let F be a subset of a monoid M. We say that F generates M if Inline graphic holds, i.e. any element m can be written by

Definition A1

for some Inline graphic, Inline graphic and Inline graphic. A monoid M is said to be finitely generated when M is generated by a finite subset of M.

(6) For an integral monoid M, we define the group of differences Inline graphic by Inline graphic with the following relation ∼:

(i) Inline graphic if and only if Inline graphic.

Note that Inline graphic becomes an abelian group by the addition Inline graphic. Furthermore, we may consider M as a submonoid of Inline graphic by the injective homomorphism Inline graphic.

Remark A2

The notions in (3), (4) and (5) correspond to a subgroup, a group homomorphism and a finitely generated group in group theory, respectively. For a monoid M and a field k, we can associate the monoid ring Inline graphic (see Bruns & Gubeladze, 2009, p. 51 for detail). Then the finite generation of M is equivalent to the finite generation of Inline graphic as a k-algebra (cf. Bruns & Gubeladze, 2009, Proposition 2.7).

Example A3

(1) If each element of a monoid M has an inverse, then M is an abelian group. In particular, any abelian group is an integral monoid. All the monoids appearing in Section 2 are submonoids of abelian groups. Hence they are always integral.

(2) The set Inline graphic of non-negative integers is a typical example of a monoid that is not a group.

(3) For monoids M and N, their Cartesian product Inline graphic admits a monoid structure by Inline graphic for Inline graphic.

(4) Using the notion of polyhedral convex geometry, we can obtain various non-trivial examples of monoids. A cone C in Inline graphic is the intersection of finitely many linear closed halfspaces (cf. Bruns & Gubeladze, 2009, Definition 1.14). A linear closed halfspace here means a closed halfspace which is defined by a linear function on Inline graphic, i.e. it is a set of the form Inline graphic where Inline graphic. Then Inline graphic is a submonoid of Inline graphic.

We say that a cone C is rational if C is the intersection of finitely many linear closed rational halfspaces, i.e. linear closed halfspaces defined by linear functions Inline graphic with rational coefficients Inline graphic. In this case, Inline graphic is known to be a finitely generated monoid [see Proposition A8(1) below].

For example, if

Example A3

Inline graphic is finitely generated, but Inline graphic is not. Inline graphic is actually generated by Inline graphic, Inline graphic and Inline graphic. Furthermore, we have Inline graphic = Inline graphic = Inline graphic.

Next we introduce the notation of M-modules. It corresponds to the notation of R-modules for a commutative ring R in ring theory.

Definition A4

Let M be a monoid.

(1) An M-module is a set X equipped with an operation Inline graphic, which is written as +, satisfying the following conditions for all Inline graphic and Inline graphic:

(i) Inline graphic,

(ii) Inline graphic.

(2) Let F be a subset of an M-module X. The module X is said to be generated by F if Inline graphic holds, where we set

Definition A4

The module X is said to be finitely generated if some finite subset Inline graphic generates X.

Example A5

(1) In Section 2, we mainly consider the following situation. M is a submonoid of an abelian group G, and X is a subset of G. Then X is an M-module (by the addition of G) if and only if Inline graphic holds.

(2) Let M be a submonoid of a monoid N. Then N and N-modules can be thought of as M-modules. Suppose that N is finitely generated as an M-module and X is a finitely generated N-module. Then X is finitely generated as an M-module.

We prove this claim below. Since N is finitely generated as an M-module, there exists a finite subset Inline graphic such that Inline graphic. Furthermore, since X is finitely generated as an N-module, there exists a finite set Inline graphic such that Inline graphic. Then we have

Example A5

Since Inline graphic is a finite set, X is finitely generated as an M-module.

(3) A polyhedron P in Inline graphic is the (possibly unbounded) intersection of finitely many affine closed halfspaces (cf. Bruns & Gubeladze, 2009, Definition 1.1). An affine closed halfspace here means a closed halfspace which is defined by an affine function on Inline graphic, i.e. it is a set of the form

Example A5

for some Inline graphic. Let Inline graphic be a polyhedron, where Inline graphic is an affine halfspace. Then the recession cone Inline graphic of P is defined by

Example A5

where Inline graphic denotes the linear closed halfspace parallel to Inline graphic. Then we have Inline graphic since Inline graphic holds for Inline graphic and Inline graphic for each i. Since Inline graphic, we have

Example A5

Therefore, Inline graphic is a Inline graphic-module.

We say that a polyhedron Inline graphic is rational if each halfspace Inline graphic is defined by an affine function Inline graphic of rational coefficients Inline graphic. In this case, Inline graphic is known to be a finitely generated Inline graphic-module [see Proposition A8(2) below].

For example, if

Example A5

then we have

Example A5

Therefore we have

Example A5

It is easy to see that Inline graphic is generated by (1,3), (2,2) and (3,1) as a Inline graphic-module.

We list some properties on finite generation.

Proposition A6

(1) (Bruns & Gubeladze, 2009, Proposition 2.8) Let M be a finitely generated monoid and let X be a finitely generated M-module. Then any M-submodule of X is finitely generated as an M-module.

(2) (cf. Ogus, 2018, ch. I, Theorem 2.1.17.6) Let Inline graphic be a homomorphism between integral monoids and let Inline graphic be a submonoid. If M and Inline graphic are finitely generated, then so is Inline graphic.

(3) (cf. Bruns & Gubeladze, 2009, Corollary 2.11) Let N be an integral monoid and let Inline graphic and Inline graphic be submonoids of N. If Inline graphic and Inline graphic are finitely generated, then Inline graphic is also a finitely generated monoid.

Remark A7

Via the correspondence between a monoid M and a monoid ring Inline graphic (cf. Bruns & Gubeladze, 2009, Proposition 2.7), (1) is a corollary of the Hilbert basis theorem in ring theory, which states that a finitely generated k-algebra is Noetherian (cf. Eisenbud, 1995, ch. I, Section 1.4).

In Ogus (2018, ch. I, Theorem 2.1.17.6), (2) is proved in a more general setting:

(4) Let Inline graphic and Inline graphic be monoid homomorphisms. If the monoids M and P are finitely generated and N is integral, then their fiber product Inline graphic is a finitely generated monoid.

We note that the fiber product is defined as

Remark A7

and it is easy to see that Inline graphic is a submonoid of Inline graphic. (2) can be seen as a special case of (4) by setting g as the inclusion map Inline graphic.

We note that in Bruns & Gubeladze (2009, Corollary 2.11), (3) is proved only when Inline graphic. In general cases, the assertion follows from (2), applying it to the inclusion map Inline graphic and Inline graphic. We also note that in Bruns & Gubeladze (2009), a monoid M is called affine when M is finitely generated and is isomorphic to a submonoid of Inline graphic.

If a cone and a polyhedron are rational [see Example A3(4) and Example A5(3)], then their restrictions to Inline graphic give a finitely generated monoid M and a finitely generated M-module. In (3), we denote by Inline graphic the cone which consists of the elements of the form Inline graphic with Inline graphic, Inline graphic and Inline graphic.

Proposition A8

(1) (Bruns & Gubeladze, 2009, Lemma 2.9) For a rational cone Inline graphic, the monoid Inline graphic is finitely generated.

(2) (Bruns & Gubeladze, 2009, Theorem 2.12) For a rational polyhedron Inline graphic, the set Inline graphic is a finitely generated (Inline graphic)-module.

(3) (Bruns & Gubeladze, 2009, Corollary 2.10) If M is a finitely generated submonoid of Inline graphic, then the monoid Inline graphic is finitely generated as an M-module.

(4) [Bruns & Gubeladze, 2009, Proof of Corollary 2.11(a)] If M and N are submonoids of Inline graphic, then Inline graphic = Inline graphic holds.

In the rest of this section, we summarize the fact on the Hilbert function of graded monoids.

Definition A9

(1) A (positively) graded monoid is a monoid M equipped with a monoid homomorphism Inline graphic. We say that Inline graphic is of degree i if Inline graphic. Furthermore, we write Inline graphic.

(2) Let M be a graded monoid. A graded M-module is an M-module X equipped with a map Inline graphic with the condition Inline graphic for all Inline graphic and Inline graphic, where we set Inline graphic. This condition is equivalent to saying that Inline graphic holds for any Inline graphic and Inline graphic.

Definition A10

Let M be a graded monoid and X a graded M-module with Inline graphic for any Inline graphic. The function

Definition A10

is called the Hilbert function associated with X. Its generating function

Definition A10

is called the Hilbert series of X. The Hilbert function and the Hilbert series depend on the grading of M and X.

Proposition A11

(Bruns & Gubeladze, 2009, Theorems 6.38 and 6.39; Bruns & Herzog, 1993, Theorem 4.1.3, Proposition 4.4.1, Theorem 4.4.3) Let M be a graded monoid which is generated by finitely many elements of positive degree. Let X be a finitely generated graded M-module. Then the Hilbert series Inline graphic is a rational function, and the Hilbert function Inline graphic is of quasi-polynomial type. Moreover, if M is generated by elements of degree one, then Inline graphic is of polynomial type.

We note that the assumption Inline graphic in Definition A10 is satisfied under the assumption of Proposition A11.

A2. Finite generation of modules  

The following theorem is the main theorem in this appendix.

Theorem A12

Let Inline graphic and Inline graphic be finitely generated sub­monoids of an integral monoid M and let Inline graphic be a finitely generated Inline graphic-submodule for Inline graphic. Then the Inline graphic-module Inline graphic is finitely generated.

Proof

Since Inline graphic is a finitely generated Inline graphic-module, there is a finite subset Inline graphic of Inline graphic such that Inline graphic, and so one has

Proof

Hence by replacing Inline graphic with Inline graphic, we may assume that Inline graphic is the form of Inline graphic for each Inline graphic. Next, replacing M with Inline graphic, we may assume that M is an abelian group. Furthermore, replacing M with the monoid generated by Inline graphic and the elements of Inline graphic, we may assume that M is finitely generated as a monoid. Let Inline graphic be a generator of M. Then, one can take a surjective homomorphism:

Proof

Then, the monoid Inline graphic is finitely generated by Proposition A6(2). Take an element Inline graphic satisfying Inline graphic. Since Inline graphic, we have

Proof

Hence Proposition A6(1) shows that the Inline graphic-module Inline graphic is finitely generated, and hence its translation Inline graphic is also a finitely generated Inline graphic-module. Moreover, we have

Proof

since φ is surjective. Thus, in order to prove that Inline graphic is finitely generated as a Inline graphic-module, it is sufficient to show that Inline graphic is finitely generated as a Inline graphic-module. Since we have

Proof

the proof is completed if we show the theorem in the case of Inline graphic.

The set Inline graphic is a rational polyhedron satisfying Inline graphic. Proposition A8(2) implies that the set

Proof

is a finitely generated Inline graphic-module. Since Inline graphic and Inline graphic are finitely generated monoids, so is the monoid Inline graphic by Proposition A6(3). Furthermore,

Proof

holds by Proposition A8(4), and it is a finitely generated Inline graphic-module by Proposition A8(3). Hence Y is a finitely generated Inline graphic-module [cf. Example A5(2)]. Since Inline graphic is an Inline graphic-submodule, it is a finitely generated Inline graphic-module by Proposition A6(1), which completes the proof.

Funding Statement

This work was funded by Ministry of Education, Culture, Sports, Science and Technology grants 18K13438 and 18K13384.

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