2.3.4. Default Materials and Alloys

Following zincblende (cubic crystal structure) and wurtzite (hexagonal crystal structure) materials are parametrized in our defyult material database database_nnp.in:

Note

Synonyms are supported.

Examples:

  • Si(1-x)Ge(x) \(\equiv\) Ge(x)Si(1-x) \(\equiv\) Si(x)Ge(1-x) \(\equiv\) Ge(1-x)Si(x)

  • Sapphire \(\equiv\) Al2O3

Insulators and Metals

  • SiO2

  • HfO2

  • Air

  • Air_wz

  • Al2O3 (sapphire)

Binary alloys

IV - IV
Elements

  • C

  • Si

  • Ge

  • Sn

Silicon-based

  • SiC

  • SiC-4H

  • SiC-6H

III - V
Arsenides

  • GaAs

  • AlAs

  • InAs

Phophides

  • GaP

  • AlP

  • InP

Antimonides

  • GaSb

  • AlSb

  • InSb

Nitrides

  • ScN

  • YN

  • GaN

  • GaN_zb

  • AlN

  • AlN_zb

  • InN

  • InN_zb

Other

  • GaBi

II - VI
Oxides

  • ZnO_wz

  • ZnO

  • CdO_wz

  • MgO_wz

Tellurides

  • HgTe

  • MgTe

  • ZnTe

  • BeTe

  • MnTe

  • MnTe_zb

  • CdTe

Selenides

  • ZnSe

  • MgSe

  • CdSe

  • BeSe

  • MnSe

  • MnSe_zb

Sulfides

  • ZnS

  • CdS

Ternary alloys

IV - IV

  • Si1-xGex

  • Ge1-xSnx

  • Si1-xSnx

III - V Valence
Arsenides

  • AlxGa1-xAs

  • InxGa1-xAs

  • AlxIn1-xAs

Phosphides

  • GaxIn1-xP

  • AlxIn1-xP

  • AlxGa1-xP

Antimonides

  • GaxIn1-xSb

  • AlxIn1-xSb

  • AlxGa1-xSb

Nitrides

  • InxGa1-xN

  • InxGa1-xN_zb

  • AlxGa1-xN

  • AlxGa1-xN_zb

  • AlxIn1-xN

  • AlxIn1-xN_zb

  • AlxSc1-xN

  • AlxY1-xN

  • ScxGa1-xN

  • YxGa1-xN

  • ScxIn1-xN

  • YxIn1-xN

  • YxSc1-xN

Arsenides - Antimonides

  • GaAs1-xSbx

  • InAsxSb1-x

  • AlAsxSb1-x

Arsenides - Phosphides

  • GaAs1-xPx

  • InAsxP1-x

  • AlAsxP1-x

Phosphides - Antimonides

  • GaPxSb1-x

  • InPxSb1-x

  • AlPxSb1-x

Dilude Nitrides

  • GaAs1-xNx

  • InAs1-xNx

  • AlAs1-xNx

  • GaP1-xNx

  • InP1-xNx

  • AlP1-xNx

  • GaSb1-xNx

  • InSb1-xNx

  • AlSb1-xNx

Others

  • GaAs1-xBix

  • Zn1-x MgxS

II - VI
Selenides

  • BexZn1-xSe

  • BexCd1-xSe

  • Zn1-x MgxSe

  • CdxZn1-xSe

  • Be1-xMnxSe

  • Cd1-xMnxSe

  • Zn1-xMnxSe

Tellurides

  • BexZn1-xTe

  • Cd1-xMgxTe

  • CdxZn1-xTe

  • Hg1-xCdxTe

  • Cd1-xMnxTe

  • Zn1-xMnxTe

Oxides

  • MgxZn1-xO

  • CdxZn1-xO

Others

  • ZnSxSe1-x

  • ZnxCd1-xS

Quaternary alloys

IV - IV

  • Si1-x-yGexSny

III - V
III-III-III-V materials

  • AlxGayIn1-x-yN (wz)

  • AlxGayIn1-x-yN (zb)

  • AlxGayIn1-x-yP

  • AlxGayIn1-x-yAs

  • AlxGayIn1-x-ySb

  • AlxScyGa1-x-yN

  • AlxScyIn1-x-yN

  • ScxInyGa1-x-yN

  • AlxYyGa1-x-yN

  • AlxYyIn1-x-yN

  • YxInyGa1-x-yN

  • YxScyGa1-x-yN

  • YxScyAl1-x-yN

  • YxScyIn1-x-yN

III-V-V-V materials

  • AlAsxSbyP1-x-y

  • GaAsxSbyP1-x-y

  • InAsxSbyP1-x-y

  • GaAsxSbyN1-x-y

III-III-V-V materials

  • GaxIn1-xAsyP1-y

  • AlxGa1-xAsyP1-y

  • InxAl1-xAsyP1-y

  • InxGa1-xAsyN1-y

  • GaxIn1-xAsySb1-y

  • AlxGa1-xAsySb1-y

  • InxAl1-xAsySb1-y

II - VI

  • Zn1-x-yBexMnySe

Quinternary alloys

III - V

  • AlxGayIn1-x-yAszSb1-z

  • AlxGayIn1-x-yAszP1-z

  • ScxInyAlzGa1-x-y-zN

  • YxInyAlzGa1-x-y-zN

Last update: nn/nn/nnnn