Other groups in database{ …_zb{} } and database{ …_wz{} }¶
Note
This section is under construction
There are about 18 identical groups available directly under all zincblende- and wurtzite-related groups. In this section we describe three of them:
valence{}
mass_density{}
dielectric_consts{}
Other groups and attributes for zincblende¶
database{ …{ valence } } for zincblende¶
A label allowing to group materials to prevent formation of unrealistic alloys. Only materials with corresponding labels can form an alloy.
- value:
IV_IV
for group IV materials (like Si, Ge, SiC, …)
III_V
for III-V materials (like GaAs, AlP, …)
II_VI
for II-VI materials (like ZnO, HgTe, …)
I_VII
for I-VII materials (like CuCl, … )
database{ …{ mass_density{} } } for zincblende¶
no information available
database{ …{ dielectric_consts{} } } for zincblende¶
- static_a
static or low frequency (\(\epsilon(\omega=0)\)) dielectric constant
- type:
double
- optical_a
optical dielectric constant
- type:
double
Note
The optical dielectric constant is currently not in use but maybe it is necessary in the future for laser calculations.
The static dielectric constant enters the Poisson equation. It is also needed to calculate the optical absorption spectra and enters the equation for the exciton correction. In a cubic crystal system (like diamond and zincblende), the dielectric constants in all three crystal axes are equal.
Other groups and attributes for wurtzite¶
database{ …{ valence } } for wurtzite¶
A label allowing to group materials to prevent formation of unrealistic alloys. Only materials with corresponding labels can form an alloy.
- value:
IV_IV
for group IV materials (like Si, Ge, SiC, …)
III_V
for III-V materials (like GaAs, AlP, …)
II_VI
for II-VI materials (like ZnO, HgTe, …)
I_VII
for I-VII materials (like CuCl, … )
database{ …{ mass_density{} } } for wurtzite¶
no information available
database{ …{ dielectric_consts{} } } for wurtzite¶
- static_a
static or low frequency (\(\epsilon(\omega=0)\)) dielectric constant (perpendicular to hexagonal c axis). In a hexagonal crystal system the two dielectric constants perpendicular to the hexagonal c axis are equal.
- type:
double
- static_c
static or low frequency (\(\epsilon(\omega=0)\)) dielectric constant (along hexagonal c axis)
- type:
double
- optical_a
optical dielectric constant (perpendicular to hexagonal c axis)
- type:
double
- optical_c
optical dielectric constant (along to hexagonal c axis)
- type:
double
Note
The optical dielectric constants (
optical_a
,optical_c
) are currently not in use, but maybe they are necessary in the future for laser calculations.The static dielectric constants enter the Poisson equation. They are also needed to calculate the optical absorption spectra and enter the equation for the exciton correction.