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Copper Oxide

Crystal: Cu2O

Structure: simple cubic, two molecules in cell

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Cohesive energy:

eV

Lattice parameter:

2.46 Å

Density:

g/cm3

 

Stiffness constants: in 1011 dynes/cm2, at room temperature

 

c11: 12.61 (neutron) or 11.65 (v/s) (Ref.1)

c12: 10.68 or 10.0

c44: 1.36 or 1.21

Compressibility (in 1011 dynes/cm2):

Poisson ratio:

 

Debye temperature: K

Melting temperature: ° C

Neel temperature: K

 

Phonon spectrum discussed by:

M.M. Berg, S.M. Shapiro Study of phonon dispersion relations in cuprous oxide by inelastic neutron scattering, Phys.Rev. B13, 1728 (1976)

Neutron data: see phonon spectrum. The reference gives also:

Zone centre:

G 25: 87±2 cm-1

G 12‘: 105±3 cm-1

G 15: 146±1 cm-1

G 2‘: 347 cm-1

Transverse optic phonon T0 (k=0): cm-1

Longitude optic phonon L0 (k=0): cm-1

 

Gruneissen constant:

Ratio e*/e:

 

Photoelastic constants:

p11:

p12:

p44:

 

 

Band gap:

direct: eV.

indirect: eV.

 

Gap: eV.

First exciton: eV.

 

Band structure discussed by:

 

Static dielectric constant: 7.5±0.2 for hn < 150 cm-1, 7.11±0.2 for 150 cm-1 < hn <660 cm-1, or 9.0

Optic dielectric constant: 6.46 for hn > 660 cm-1 or 4.0

 

Electron mobility:

Hole mobility:

Polaron coupling constant: a = ( for m*=1 )

Polaron radius: 8.83

 

Effective mass:

conduction band:

valence band:

 

Electron affinity: ( in eV., from bottom of conduction band under vacuum)

 

Spin-orbit coupling: ( valence band)

 

Cation polarisation: Å-3

Anion polarisation: Å-3

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Other information:

 

J.W. Hodby, T.E. Jenkins and C. Schwab, Cyclotron resonance of electrons and of holes in cuprous oxide, Cu2O, J. Phys. C9, 1429 (1976)

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References:

 

1. J. Hallberg, R.C. Hanson, The elastic constants of Cuprous Oxide, Phys. Stat. Sol. 42, 305 (1970)

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