Influence of dislocations on electron energy-loss spectra in gallium nitride

被引：50

作者：

Fall, CJ ^{[1
]}

Jones, R

Briddon, PR

Blumenau, AT

Frauenheim, T

Heggie, MI

机构：

[1] Univ Exeter, Sch Phys, Exeter EX4 4QL, Devon, England

[2] Newcastle Univ, Dept Phys, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England

[3] Univ Paderborn, D-33098 Paderborn, Germany

[4] Univ Sussex, CPES, Brighton BN1 9QJ, E Sussex, England

来源：

PHYSICAL REVIEW B | 2002年 / 65卷 / 24期

关键词：

D O I：

10.1103/PhysRevB.65.245304

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We report on first-principles calculations of electron energy-loss (EEL) spectra for bulk group-III nitrides and of spatially resolved EEL spectra for a variety of edge and screw dislocations in GaN. The theoretical bulk low-loss EEL spectra, in the 0-10 eV range, are in good agreement with recent experimental data. We find gap states associated with undecorated full-core dislocations that lead to absorption below the bulk onset energy in low-loss EEL spectroscopy. It is also found that the electrostatic potential at N atoms in the vicinity of an edge dislocation varies by an order of a volt and casts doubt on any simple interpretation of core-loss spectroscopy.

引用

页码：2453041 / 2453048

页数：8

共 37 条

[1] Intrinsic electronic structure of threading dislocations in GaN [J].

Arslan, I ;

Browning, ND .

PHYSICAL REVIEW B, 2002, 65 (07) :1-10

[2] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU [J].

BACHELET, GB ;

HAMANN, DR ;

SCHLUTER, M .

PHYSICAL REVIEW B, 1982, 26 (08) :4199-4228

[3]

BASSANI GF, 1975, RA BALLINGER INT SER, V8

[4] Atomic and electronic structure of a dissociated 60° misfit dislocation in GexSi(1-x) [J].

Batson, PE .

PHYSICAL REVIEW LETTERS, 1999, 83 (21) :4409-4412

[5] Dielectric function of wurtizite GaN and AlN thin films [J].

Benedict, LX ;

Wethkamp, T ;

Wilmers, K ;

Cobet, C ;

Esser, N ;

Shirley, EL ;

Richter, W ;

Cardona, M .

SOLID STATE COMMUNICATIONS, 1999, 112 (03) :129-133

[6] ATOMIC AND ELECTRONIC-STRUCTURES OF THE 90-DEGREES PARTIAL DISLOCATION IN SILICON [J].

BIGGER, JRK ;

MCINNES, DA ;

SUTTON, AP ;

PAYNE, MC ;

STICH, I ;

KINGSMITH, RD ;

BIRD, DM ;

CLARKE, LJ .

PHYSICAL REVIEW LETTERS, 1992, 69 (15) :2224-2227

[7]

Briddon PR, 2000, PHYS STATUS SOLIDI B, V217, P131, DOI 10.1002/(SICI)1521-3951(200001)217:1<131::AID-PSSB131>3.0.CO

[8]

2-M

[9] ELECTRON-ENERGY-LOSS STUDIES OF DISLOCATIONS IN DIAMOND [J].

BRULEY, J ;

BATSON, PE .

PHYSICAL REVIEW B, 1989, 40 (14) :9888-9894

[10] Excitonic effects in core-excitation spectra of semiconductors [J].

Buczko, R ;

Duscher, G ;

Pennycook, SJ ;

Pantelides, ST .

PHYSICAL REVIEW LETTERS, 2000, 85 (10) :2168-2171

← 1 2 3 4 →