Theoretical modeling of sulfur-hydrogen complexes in diamond

被引：20

作者：

Miyazaki, T

Okushi, H

机构：

[1] Natl Inst Adv Ind Sci & Technol, Adv Semicond Res Ctr, Tsukuba, Ibaraki 3058562, Japan

[2] AIST, Adv Carbon Res Ctr, Tsukuba, Ibaraki 3058565, Japan

[3] Waseda Univ, CREST, JST, Tokyo, Japan

来源：

关键词：

surface; n-type doping; impurities; defect;

D O I：

10.1016/S0925-9635(01)00543-X

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present ab initio energetics of sulfur (S)-hydrogen (H) complex defects in diamond. If the defects are in partial equilibrium with the dopants adsorbed on the restored (100) surface, some S-H complexes may be incorporated with less energy costs than that required for single vacancy (V) formation. However, they do not exhibit shallow donor characters. Thus, it is not quite obvious whether the S atoms doped in diamond can work as real donors. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：323 / 327

页数：5

共 21 条

[1] Molecular-orbital theory of monatomic and diatomic substitutional defects as shallow n-type dopants in diamond [J].

Anderson, AB ;

Grantscharova, EJ ;

Angus, JC .

PHYSICAL REVIEW B, 1996, 54 (20) :14341-14348

[2] DEFECT-INDUCED STABILIZATION OF DIAMOND FILMS [J].

BARYAM, Y ;

MOUSTAKAS, TD .

NATURE, 1989, 342 (6251) :786-787

[3] n-type control by sulfur ion implantation in homoepitaxial diamond films grown by chemical vapor deposition [J].

Hasegawa, M ;

Takeuchi, D ;

Yamanaka, S ;

Ogura, M ;

Watanabe, H ;

Kobayashi, N ;

Okushi, H ;

Kajimura, K .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS, 1999, 38 (12B) :L1519-L1522

[4] Is sulfur a donor in diamond? [J].

Kalish, R ;

Reznik, A ;

Uzan-Saguy, C ;

Cytermann, C .

APPLIED PHYSICS LETTERS, 2000, 76 (06) :757-759

[5]

Koizumi S, 1999, PHYS STATUS SOLIDI A, V172, P71, DOI 10.1002/(SICI)1521-396X(199903)172:1<71::AID-PSSA71>3.0.CO

[6]

2-N

[7] CAR-PARRINELLO MOLECULAR-DYNAMICS WITH VANDERBILT ULTRASOFT PSEUDOPOTENTIALS [J].

LAASONEN, K ;

PASQUARELLO, A ;

CAR, R ;

LEE, C ;

VANDERBLIT, D .

PHYSICAL REVIEW B, 1993, 47 (16) :10142-10153

[8]

LANDAU LD, 1980, STAT PHYSICS 1, P13

[9] A theoretical study of a sulfur impurity in diamond [J].

Miyazaki, T ;

Okushi, H .

[10] Theoretical study of sulfur-hydrogen-vacancy complex in diamond [J].

Miyazaki, T ;

Okushi, H ;

Uda, T .

APPLIED PHYSICS LETTERS, 2001, 78 (25) :3977-3979

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