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Zinc blende
Wurtzite

Database

The following zincblende (cubic crystal structure) and wurtzite (hexagonal crystal structure) materials are implemented in the material database database_nnp.in.

Synonyms are supported such as

• Si(1-x)Ge(x)
Ge(x)Si(1-x)    # equivalent to Si(1-x)Ge(x)
Si(x)Ge(1-x)    # equivalent to Si(1-x)Ge(x) but x and y are defined differently, i.e. exchanged.
Ge(1-x)Si(x)    # equivalent to Si(1-x)Ge(x) but x and y are defined differently, i.e. exchanged.
• Sapphire instead of Al2O3.

The following list is not complete. The actual dabase database_nnp.in contains even more materials.

Group IV materials

Si
Ge
Si_1-xGe_x               Synonyms are supported such as Si_xGe_1-x.
SiC
SiO₂                    Note: SiO₂ is hexagonal (wurtzite) and not cubic (zincblende).

III-V materials

Arsenides
GaAs
AlAs
InAs

Phophides
GaP                    Note: GaP does not have an X valley, it has a DELTA valley.
AlP
InP

Antimonides
GaSb
AlSb
InSb

Nitrides
GaN (wurtzite), GaN_zb (zincblende)
AlN (wurtzite), AlN (zincblende)
InN (wurtzite), InN (zincblende)

Ternaries

Arsenides
Al_xGa_1-xAs
In_xGa_1-xAs
In_xAl_1-xAs

Phophides
Ga_xIn_1-xP
Al_xIn_1-xP
Al_xGa_1-xP

Antimonides
Ga_xIn_1-xSb
Al_xIn_1-xSb
Al_xGa_1-xSb

Arsenides antimonides
GaAs_1-xSb_x
InAs_xSb_1-x
AlAs_xSb_1-x

Arsenides phosphides
GaAs_1-xP_x
InAs_xP_1-x
AlAs_xP_1-x

Phosphides antimonides
GaP_xSb_1-x
InP_xSb_1-x
AlP_xSb_1-x

Nitrides
In_xGa_1-xN (wurtzite), In_xGa_1-xN_zb (zincblende)
Al_xGa_1-xN (wurtzite), Al_xGa_1-xN_zb (zincblende)
Al_xIn_1-xN (wurtzite), Al_xIn_1-xN_zb (zincblende)

Dilute nitrides
GaAs_1-xN_x
InAs_1-xN_x
InP_1-xN_x
GaP_1-xN_x
InSb_1-xN_x

III-III-III-V Quaternaries

Al_xGa_yIn_1-x-yN (wurtzite), Al_xGa_yIn_1-x-yN_zb (zincblende)
Al_xGa_yIn_1-x-yP
Al_xGa_yIn_1-x-yAs
Al_xGa_yIn_1-x-ySb

III-V-V-V Quaternaries

AlAs_xSb_yP_1-x-y
GaAs_xSb_yP_1-x-y
InAs_xSb_yP_1-x-y

III-III-V-V Quaternaries

Ga_xIn_1-xAs_yP_1-y
In_xGa_1-xAs_yN_1-y
Ga_xIn_1-xAs_ySb_1-y
Al_xGa_1-xAs_ySb_1-y
In_xAl_1-xAs_ySb_1-y
Al_xGa_1-xAs_yP_1-y

III-III-V-V Quinternaries

Al_xGa_yIn_1-x-yAs_zSb_1-z
Sc_xIn_yAl_zGa_1-x-y-zN

II-VI

ZnO
MgO
CdO
HgTe
CdTe
MgTe
ZnSe
ZnTe
MgSe
CdSe
BeSe
MnSe
MnTe
ZnS
CdS
Mg_xZn_1-xO
Cd_xZn_1-xO
Be_xZn_1-xSe
ZnS_xSe_1-x
Zn_1-xMg_xS
Cd_xZn_1-xSe
Cd_xZn_1-xTe
Hg_1-xCd_xTe
Cd_1-xMg_xTe
Cd_1-xMn_xTe
Cd_1-xMn_xSe
Zn_1-xMn_xTe
Zn_1-xMn_xSe
Zn_xCd_1-xS

I-VII

...

"Exotic" materials

Air (air)
Air_wz
Al₂O₃ (sapphire)