First-principles calculations for zinc-blende AlInN alloys

A. F. Wright; J. S. Nelson

doi:10.1063/1.113389

First-principles calculations for zinc-blende AlInN alloys

A. F. Wright
, J. S. Nelson

Research output: Contribution to journal › Article › peer-review

57 Scopus citations

Abstract

First-principles calculations have been performed for ordered and disordered zinc-blende Al0.5In0.5N alloys including full relaxation of bond lengths and bond angles. The disordered alloy is predicted to have a mixing enthalpy of +39 meV/atom and a bowing parameter of +2.53 eV at the Γ-point transition. The similarity of the bulk zinc-blende and wurtzite Γ-point transitions also allows an estimate to be made of the energy gap versus composition for wurtzite alloys. In particular, the wurtzite AlInN alloy lattice matched to GaN is predicted to have an energy gap of 5.0 eV.© 1995 American Institute of Physics.

Original language	English
Pages (from-to)	3465
Number of pages	1
Journal	Applied Physics Letters
DOIs	https://doi.org/10.1063/1.113389
State	Published - Jan 1 1995
Externally published	Yes

Access to Document

10.1063/1.113389

Cite this

@article{75dbda0ff4ca4093adcb4c593df0518a,

title = "First-principles calculations for zinc-blende AlInN alloys",

abstract = "First-principles calculations have been performed for ordered and disordered zinc-blende Al0.5In0.5N alloys including full relaxation of bond lengths and bond angles. The disordered alloy is predicted to have a mixing enthalpy of +39 meV/atom and a bowing parameter of +2.53 eV at the Γ-point transition. The similarity of the bulk zinc-blende and wurtzite Γ-point transitions also allows an estimate to be made of the energy gap versus composition for wurtzite alloys. In particular, the wurtzite AlInN alloy lattice matched to GaN is predicted to have an energy gap of 5.0 eV.{\textcopyright} 1995 American Institute of Physics.",

author = "Wright, \{A. F.\} and Nelson, \{J. S.\}",

year = "1995",

month = jan,

day = "1",

doi = "10.1063/1.113389",

language = "English",

pages = "3465",

journal = "Applied Physics Letters",

issn = "0003-6951",

publisher = "American Institute of Physics",

}

TY - JOUR

T1 - First-principles calculations for zinc-blende AlInN alloys

AU - Wright, A. F.

AU - Nelson, J. S.

PY - 1995/1/1

Y1 - 1995/1/1

N2 - First-principles calculations have been performed for ordered and disordered zinc-blende Al0.5In0.5N alloys including full relaxation of bond lengths and bond angles. The disordered alloy is predicted to have a mixing enthalpy of +39 meV/atom and a bowing parameter of +2.53 eV at the Γ-point transition. The similarity of the bulk zinc-blende and wurtzite Γ-point transitions also allows an estimate to be made of the energy gap versus composition for wurtzite alloys. In particular, the wurtzite AlInN alloy lattice matched to GaN is predicted to have an energy gap of 5.0 eV.© 1995 American Institute of Physics.

AB - First-principles calculations have been performed for ordered and disordered zinc-blende Al0.5In0.5N alloys including full relaxation of bond lengths and bond angles. The disordered alloy is predicted to have a mixing enthalpy of +39 meV/atom and a bowing parameter of +2.53 eV at the Γ-point transition. The similarity of the bulk zinc-blende and wurtzite Γ-point transitions also allows an estimate to be made of the energy gap versus composition for wurtzite alloys. In particular, the wurtzite AlInN alloy lattice matched to GaN is predicted to have an energy gap of 5.0 eV.© 1995 American Institute of Physics.

UR - https://www.scopus.com/pages/publications/36449008837

U2 - 10.1063/1.113389

DO - 10.1063/1.113389

M3 - Article

SN - 0003-6951

SP - 3465

JO - Applied Physics Letters

JF - Applied Physics Letters

ER -

First-principles calculations for zinc-blende AlInN alloys

Abstract

Access to Document

Fingerprint

Cite this