Defect states of substitutional oxygen in diamond

被引：40

作者：

Gali, A ^{[1
]}

Lowther, JE

Deák, P

机构：

[1] Univ Witwatersrand, Sch Phys, Johannesburg, South Africa

[2] Tech Univ Budapest, Dept Atom Phys, Budapest, Hungary

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2001年 / 13卷 / 50期

关键词：

D O I：

10.1088/0953-8984/13/50/319

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Different charged forms of substitutional oxygen in diamond are examined using ab initio plane-wave pseudopotential calculations. The results show that two defect levels are associated with substitutional oxygen and that the charged form of the defect depends sensitively on the Fermi level. One of the defect states lies well in the energy gap and the other is located near the conduction band edge. The positively charged form of the oxygen defect is suggested to be responsible for an optical absorption band occurring at 2.6 eV. It is shown that oxygen in the lattice vacancy exhibits an amphoteric behaviour in diamond.

引用

页码：11607 / 11613

页数：7

共 22 条

[1] NEW HIGH-PRESSURE STRUCTURAL TRANSITION OF OXYGEN AT 96 GPA ASSOCIATED WITH METALLIZATION IN A MOLECULAR-SOLID [J].

AKAHAMA, Y ;

KAWAMURA, H ;

HAUSERMANN, D ;

HANFLAND, M ;

SHIMOMURA, O .

PHYSICAL REVIEW LETTERS, 1995, 74 (23) :4690-4693

[2] Super-cell calculation of the nitrogen defect in diamond and cubic silicon carbide [J].

Aradi, B ;

Lowther, JE ;

Deák, P ;

Leitch, A .

[3] Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics [J].

Bockstedte, M ;

Kley, A ;

Neugebauer, J ;

Scheffler, M .

COMPUTER PHYSICS COMMUNICATIONS, 1997, 107 (1-3) :187-222

[4] THEORY OF IMPURITIES IN DIAMOND [J].

BRIDDON, PR ;

JONES, R .

PHYSICA B-CONDENSED MATTER, 1993, 185 (1-4) :179-189

[5] BORON, DOMINANT ACCEPTOR IN SEMICONDUCTING DIAMOND [J].

CHRENKO, RM .

PHYSICAL REVIEW B, 1973, 7 (10) :4560-4567

[6] PHOTOTHERMAL IONIZATION AND PHOTON-INDUCED TUNNELING IN ACCEPTOR PHOTOCONDUCTIVITY SPECTRUM OF SEMICONDUCTING DIAMOND [J].

COLLINS, AT ;

LIGHTOWLERS, EC .

PHYSICAL REVIEW, 1968, 171 (03) :843-+

[7] OPTICAL STUDIES OF VIBRONIC BANDS IN YELLOW LUMINESCING NATURAL DIAMONDS [J].

COLLINS, AT ;

MOHAMMED, K .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1982, 15 (01) :147-158

[8] COLOUR CENTRES IN IRRADIATED DIAMONDS .1. [J].

COULSON, CA ;

KEARSLEY, MJ .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1957, 241 (1227) :433-454

[9] EXCITATION SPECTRUM OF ALUMINUM ACCEPTORS IN DIAMOND UNDER UNIAXIAL STRESS [J].

CROWTHER, PA ;

DEAN, PJ ;

SHERMAN, WF .

PHYSICAL REVIEW, 1967, 154 (03) :772-&

[10] CHARGE STATES OF VACANCY IN DIAMOND [J].

DAVIES, G .

NATURE, 1977, 269 (5628) :498-500

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