materials-local.yaml

# Materials parameters for the Empirical Pseudopotential Method.
# The values are from:
# Cohen, M. L. & Bergstresser, T. K. *
# Band Structures and Pseudopotential Form Factors for Fourteen Semiconductors of the Diamond and Zinc-blende Structures.
# Phys. Rev. 141, 789–796 (1966).

---

materials:
  - name: Silicon
    symbol: Si
    lattice-constant: 5.43
    pseudo-potential-parameters:
      V3S: -0.2241
      V8S: 0.0551
      V11S: 0.0724
      V3A: 0.0
      V4A: 0.0
      V11A: 0.0
    spin-orbit-parameters:
      period_anion: 3
      period_cation: 3
      radial_extent_anion: 4.60
      radial_extent_cation: 4.60
      alpha_soc: 1.00
      mu_soc: 0.0

  - name: Germanium
    symbol: Ge
    lattice-constant: 5.66
    pseudo-potential-parameters:
      V3S: -0.23
      V8S: 0.01
      V11S: 0.06
      V3A: 0.0
      V4A: 0.0
      V11A: 0.0
    spin-orbit-parameters:
      period_anion: 4
      period_cation: 4
      radial_extent_anion: 5.34
      radial_extent_cation: 5.34
      alpha_soc: 1.00
      mu_soc: 0.00069

  - name: Tin
    symbol: Sn
    lattice-constant: 6.49
    pseudo-potential-parameters:
      V3S: -0.20
      V8S: 0.00
      V11S: 0.04
      V3A: 0.0
      V4A: 0.0
      V11A: 0.0

  - name: GalliumPhosphide
    symbol: GaP
    lattice-constant: 5.44
    pseudo-potential-parameters:
      V3S: -0.22
      V8S: 0.03
      V11S: 0.07
      V3A: 0.12
      V4A: 0.07
      V11A: 0.02

  - name: GalliumArsenide
    symbol: GaAs
    lattice-constant: 5.64
    pseudo-potential-parameters:
      V3S: -0.23
      V8S: 0.01
      V11S: 0.06
      V3A: 0.07
      V4A: 0.05
      V11A: 0.01

  - name: AluminiumAntimonide
    symbol: AlSb
    lattice-constant: 6.13
    pseudo-potential-parameters:
      V3S: -0.21
      V8S: 0.02
      V11S: 0.06
      V3A: 0.06
      V4A: 0.04
      V11A: 0.02

  - name: IndiumPhosphide
    symbol: InP
    lattice-constant: 5.86
    pseudo-potential-parameters:
      V3S: -0.23
      V8S: 0.01
      V11S: 0.06
      V3A: 0.07
      V4A: 0.05
      V11A: 0.01

  - name: IndiumArsenide
    symbol: InAs
    lattice-constant: 6.12
    pseudo-potential-parameters:
      V3S: -0.22
      V8S: 0.00
      V11S: 0.05
      V3A: 0.08
      V4A: 0.05
      V11A: 0.03

  - name: IndiumAntimonide
    symbol: InSb
    lattice-constant: 6.48
    pseudo-potential-parameters:
      V3S: -0.20
      V8S: 0.00
      V11S: 0.04
      V3A: 0.06
      V4A: 0.05
      V11A: 0.01

  - name: AluminiumArsenide
    symbol: AlAs
    lattice-constant: 5.6605
    pseudo-potential-parameters:
      V3S: -0.221
      V8S: 0.025
      V11S: 0.07
      V3A: 0.08
      V4A: 0.05
      V11A: -0.04