Table 1 Calculated lattice parameters a, c, and u of transition metal monopnictides.

From: Validity of Weyl fermion picture for transition metals monopnictides TaAs, TaP, NbAs, and NbP from ab initio studies

Parameter

TaAs

TaP

NbAs

NbP

a (Å)

3.466 (3.437)

3.339 (3.318)

3.477 (3.452)

3.350 (3.334)

c (Å)

11.750 (11.656)

11.486 (11.363)

11.752 (11.679)

11.424 (11.376)

u

0.417 (0.417)

0.414 (0.416)

0.422 (0.417)

0.416 (0.416)

B (GPa)

84.38

102.31

87.47

95.99

B′

4.14

4.05

4.05

3.85

Ecoh (eV/pair)

14.27

16.00

15.09

16.69

  1. Experimental values (adapted from collection in26) are given in parenthesis. In addition, elastic and energetic parameters, the bulk modulus B, its pressure derivative B′, and the cohesive energy Ecoh, are listed.
Back to article page