Skip to main content

View full-text article in PMC

. 2021 Oct 26;6(44):29820–29829. doi: 10.1021/acsomega.1c04286

Table 1. Lattice Constants (Å) from PBE Calculations and Those in the Literature.

	method	lattice constant
HfS₂	expt (bulk)	3.631²⁸
	PBE	3.65⁴¹
	PBE	3.643 (present)
	PBE	3.674⁴²
	PBEsol	3.64⁴³