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          Institute: Fritz-Haber-Institut     Collection: Theory     Display Documents



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ID: 438106.0, Fritz-Haber-Institut / Theory
Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN
Authors:Yan, Qimin; Rinke, Patrick; Scheffler, Matthias; Van de Walle, Chris G.
Language:English
Date of Publication (YYYY-MM-DD):2009-09-24
Title of Journal:Applied Physics Letters
Journal Abbrev.:Appl. Phys. Lett.
Volume:95
Issue / Number:12
Start Page:121111-1
End Page:121111-3
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:A systematic density functional theory study of strain effects on the electronic band structure of the group-III nitrides (AlN, GaN, and InN) is presented. To overcome the deficiencies of the local-density and generalized gradient approximations the Heyd–Scuseria–Ernzerhof (HSE) hybrid functional is used. Cross checks for GaN demonstrate good agreement between HSE and exact-exchange based G0W0 calculations. We observe a pronounced nonlinear dependence of band-energy differences on strain. For realistic strain conditions in the linear regime around the experimental equilibrium volume a consistent and complete set of deformation potentials is derived.
External Publication Status:published
Document Type:Article
Communicated by:Matthias Scheffler
Affiliations:Fritz-Haber-Institut/Theory
External Affiliations:Department of Materials, University of California, Santa Barbara, California 93106-5050, USA
Identifiers:URL:http://www.fhi-berlin.mpg.de/th/th.html [For a reprint, please contact THsecretary@fhi-berlin.mpg.de]
URL:http://dx.doi.org/10.1063/1.3236533 [only subscriber]
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