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Lithium Chloride
Crystal:
LiClStructure: NaCl
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Lattice formation energy: |
-8.63 eV |
Lattice parameter: |
2.56 Å (2.54 at 0K.) |
Density: |
2.111 g/cm3 |
Stiffness constants
c11: 4.927 (Ref.1), |
or 4.963 (Ref.3) |
or 6.074 (5.860 at 4K., Ref.2) |
c12: 2.31 |
or 2.27 |
( 2.086 at 4K.) |
c44: 2.495 |
or 2.503 |
or 2.692 (2.671 at 4K.) |
Compressibility (in 1011 dynes/cm2): 0.314 ??
Poisson ratio:
Debye temperature: 425 K (Lower at room temperature, see Ref.3)
Melting temperature: K
Phonon spectrum discussed by:
Transverse optic phonon T0 (k=0): 191 or 221cm-1
Longitude optic phonon L0 (k=0): cm-1
Gruneissen constant:
Ratio e*/e:
Photoelastic constants:
p11:
p12:
p44:
Band gap:
direct: eV. at K
indirect: eV. at ° K
Plasmon energy: 17 eV.
Exciton energy: 9.9 eV. (Ref.5)
Valence band width: 4.5 eV.
Gap: 9.4 eV.
Band structure discussed by:
A.B. Kunz, Self-consistant local orbitals for Lithium Halide Crystals, Phys.Rev. B2, 2224 (1970)
and R.T. Poole, J. Liesegang, R.C.G. Leckey & J.G. Jenkin, Electronic band structure of the alkali halides. II:Critical survey of theoretical calculation, Phys.Rev. B11, 5194 (1975)
Static dielectric constant: 11.05, or 12.0 (10.83 at 0K.)
Optic dielectric constant: 2.75, or 2.7 (2.79 at 0K.)
Electron mobility:
Hole mobility:
Polaron coupling constant:
Effective mass: conduction band:
valence band:
Electron affinity: ( in eV., from bottom of conduction band under vacuum)
3.72 (by Mott-Gurney, probably 3eV. too high) (Ref.5)
Spin-orbit coupling: 0.13 ( valence band)
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References:
1. J.T. Lewis, A. Lehoczky & C.V. Briscoe, Elastic constants of the Alkali Halides at 4.2K Phys.Rev. 161, 877 (1967)
3. L.S. Ching, J. Day, A.L. Ruoff, Pressure & temperature dependence of the elastic constants of LiBr & LiCl, J. Appl Phys. 44, 2058 (1973)
4. S.M. Mujibur Rahman, A.M. Harun Ar Rashid & S.M. Chowdhury, Mixed approach of linear-combinaison-of-atomic-orbitals & orthogonalized-plane-wave methods to the band-structure calculation of alkali-halide crystals, Phys. Rev. B14, 2613 (1976)
5. N.F. Mott & R.W. Gurney, "Electronic processes in Ionic crystals", 2nd. Edition (1950)
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