Table 3.
parameter | value fitted from DFT |
---|---|
ε 1 | −2.7173 · 10−4 eV |
γ | 2.9360 · 10−1 eV · nm |
ε 3′ | 1.7506 · 10−1 eV |
V 6 | 4.6869 · 10−1 eV |
c 3 | 3.5993 · 10−3 eV · nm2 |
c 4 | 7.2639 · 10−1 eV · nm |
c 5 | 5.5394 · 10−2 eV · nm2 |
c 6 | −8.3891 · 10−2 eV · nm2 |
c 7 | −1.3307 · 10−1 eV · nm2 |
d 1 | −3.8364 · 10−2 eV |
d 2 | 4.6786 · 10−2 eV |
f 1 | −5.5095 · 10−2 eV |
f 2 | 1.1570 · 10−1 eV |
f 3 | 2.4084 · 10−1 eV |
A description with 4 bands near and 6 bands near is considered.