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Sodium Chloride
Crystal:
NaClStructure: NaCl
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Lattice formation energy: |
-7.92 eV. |
Lattice parameter: |
2.814 Å (2.781 at 0K.) |
Density: |
2.217 g/cm3 |
Stiffness constants: in 1011 dynes/cm2, at room temperature
c11: 4.87 (5.733 at 0K.) (Ref.1)
c12: 1.24 (1.123 at 0K.)
c44: 1.26 (1.331 at 0K.)
Compressibility (in 1011 dynes/cm2): 0.408 ??
Poisson ratio: (Voight) 0.2476
Debye temperature: 322 K
Melting temperature: K
Phonon spectrum discussed by:
G. Raunio & S. Rolandson, Lattice dynamics of NaCl, KCl, RbCl & RbF, Phys.Rev. B2, 2098 (1970)
Transverse optic phonon T0 (k=0): 164 or 178 cm-1
Longitude optic phonon L0 (k=0): cm-1
See also other information
Gruneissen constant:
Ratio e*/e: 0.74
Photoelastic constants:
p11: 0.110 at 5893 Å (Ref.2)
p12: 0.153
p44: -0.010
Band gap:
direct: 8.97 eV. at 77 K (see also Ref.4 for experiments)
indirect: eV. at ° K
Plasmon energy: 15.6 eV. (Ref.3)
Exciton energy: 8.7 eV. or 7.96 eV.(Ref.5)
Electronic band structure of the alkali halides. II:Critical survey of theorical calculation, R.T. Poole, J. Liesegang, R.C.G. Leckey & J.G. Jenkin, Phys.Rev. B11, 5194 (1975)
which gives:
Valence band width: |
4.1 eV. |
Gap: |
8.5 eV. |
Electron affinity: |
0.5 eV. |
Band structure discussed by:
N.O. Lipari & A.B. Kunz, Energy bands & optical properties of NaCl, Phys.Rev. B3, 491 (1971)
See also:
Mixed approach of linear-combinaison-of-atomic-orbitals & orthogonalized-plane-wave methods to the band-structure calculation of alkali-halide crystals, S.M. Mujibur Rahman, A.M. Harun Ar Rashid & S.M. Chowdhury, Phys. Rev. B14, 2613 (1976)
Static dielectric constant: 5.62 or 5.45
Optic dielectric constant: 2.25 or 2.35
For more information:
Line shapes of Longitude optic phonon -optic phonons in Sodium Chloride at 300 & 600K., E.R. Cowley, S SatiJap. & R. Youngblood, Phys. Rev. B28, 993 (1983)
Also: Pressure & temperature dependence of the static dielectric constants of KCl, LiF & MgO, R.A. Bartells & A. Smith, Phys. Rev. B7, 3885 (1973)
High pressure optical studies of doped alkali halides. III: Rates of electron-transfer processes, W.D. Drotning & H.G. Drickamer, Phys. Rev. B7, 4586 (1976)
Electron mobility:
Hole mobility:
Polaron coupling constant:
a = 5.0 ( for m*=1 )Effective mass: conduction band:
valence band:
Electron affinity: ( in eV., from bottom of conduction band under vacuum)
3.75, by Mott-Gurney, maybe 3eV. too high (Ref.6)
0.76eV. is the estimation of conductance band width
Spin-orbit coupling: 0.13 ( valence band) (Ref.7)
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Other information:
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References:
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