Small valence-band offsets at GaN/InGaN heterojunctions

被引：135

作者：

Van de Walle, CG ^{[1
]}

Neugebauer, J ^{[1
]}

机构：

[1] FRITZ HABER INST, ABT THEORIE, D-14195 BERLIN, GERMANY

来源：

APPLIED PHYSICS LETTERS | 1997年 / 70卷 / 19期

关键词：

D O I：

10.1063/1.118924

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The band discontinuities between GaN and InN, as well as InGaN alloys, are key parameters for the design of nitride-based light emitters. Values reported to date are subject to large uncertainties due to strain effects at this highly mismatched interface. We have investigated the band lineups using first-principles calculations with explicit inclusion of strains and atomic relaxations at the interface. We find that the ''natural'' valence-band offset between unstrained InN and GaN is 0.3 eV. Prescriptions are given, including the band shifts, due to strains at a pseudomorphic interface. (C) 1997 American Institute of Physics.

引用

页码：2577 / 2579

页数：3

共 17 条

[1]

ALBANESI EA, 1994, MATER RES SOC SYMP P, V339, P607, DOI 10.1557/PROC-339-607

[2] THEORETICAL-STUDY OF THE BAND OFFSETS AT GAN/ALN INTERFACES [J].

ALBANESI, EA ;

LAMBRECHT, WRL ;

SEGALL, B .

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B, 1994, 12 (04) :2470-2474

[3] Band structures of II-VI semiconductors using Gaussian basis functions with separable ab initio pseudopotentials: Application to prediction of band offsets [J].

Chen, XJ ;

Hua, XL ;

Hu, JS ;

Langlois, JM ;

Goddard, WA .

PHYSICAL REVIEW B, 1996, 53 (03) :1377-1387

[4] Heterojunction band offset engineering [J].

Franciosi, A ;

Van de Walle, CG .

SURFACE SCIENCE REPORTS, 1996, 25 (1-4) :1-+

[5] Valence-band offsets and different band-gap behaviors of (beta-GaN)/(beta-AlN) superlattice and (alpha-GaN)/(alpha-AlN) superlattice [J].

Ke, SH ;

Zhang, KM ;

Xie, XD .

JOURNAL OF APPLIED PHYSICS, 1996, 80 (05) :2918-2921

[6] Elastic constants and related properties of tetrahedrally bonded BN, AlN, GaN, and InN [J].

Kim, K ;

Lambrecht, WRL ;

Segall, B .

PHYSICAL REVIEW B, 1996, 53 (24) :16310-16326

[7] DEFORMATION POTENTIALS IN SILICON .1. UNIAXIAL STRAIN [J].

KLEINMAN, L .

PHYSICAL REVIEW, 1962, 128 (06) :2614-+

[8]

Martin G, 1996, APPL PHYS LETT, V68, P2541, DOI 10.1063/1.116177

[9] ATOMIC GEOMETRY AND ELECTRONIC-STRUCTURE OF NATIVE DEFECTS IN GAN [J].

NEUGEBAUER, J ;

VAN DE WALLE, CG .

PHYSICAL REVIEW B, 1994, 50 (11) :8067-8070

[10] GAN CORE RELAXATION EFFECTS AND THEIR RAMIFICATIONS FOR P-TYPE DOPING [J].

STRITE, S .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS, 1994, 33 (5B) :L699-L701

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