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Lithium Iodide
Crystal:
LiIStructure: NaCl
Also Wurtzite and amorphous
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Lattice formation energy: |
-7.71 eV |
Lattice parameter: |
3.00 Å (2.951 at 0K.) |
|
nn distance for Wurtzite structure is 2.74 Å (Ref.1), with a=4.48 Å c=1.62 Å |
Density: |
g/cm3 |
Stiffness constants
c11: 2.922 (adiabatic, Ref.2) |
or 2.707 (at 295K., isothermal, Ref.3) |
c12:1.428 |
or 1.221 |
c44: 1.415 |
or 1.407 |
Compressibility (in 1011 dynes/cm2): 0.519 ??
Poisson ratio:
Debye temperature: 200.5 K (Ref.4)
Melting temperature: K
Phonon spectrum discussed by:
From Hashimoto & Kanzaki:
Absorption of phonon at ~ 5.6-6 eV.
Emission at 9.5eV.
Transverse optic phonon T0 (k=0): 151.5 cm-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:
Exciton energy:
5.94 eV. (Ref.5)
also 6.80 eV. peak, i.e. 0.86 eV. doublet spitting (Ref.6)
For Wurtzite structure:
exciton: 6.12 eV. (Ref.6)
7.10 eV. Peak
0.98 eV. doublet splitting
For amorphous structure:
exciton 5.85 eV. (Ref.6)
6.95 eV. peak1.
10 eV. doublet splitting
Band structure discussed by: A.B. Kunz, Self-consistent local orbitals for Lithium Halide Crystals, Phys.Rev. B2, 2224 (1970)
Static dielectric constant: 11.03 or 16.85 (Ref.7)
Optic dielectric constant: 3.80 or 3.80
Electron mobility:
Hole mobility:
Polaron coupling constant:
Effective mass: conduction band:
valence band:
Electron affinity: ( in eV., from bottom of conduction band under vacuum)
Spin-orbit coupling: 1.23 (theory) (valence band)
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References:
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