VACANCY IN SI - SUCCESSFUL DESCRIPTION WITHIN THE LOCAL-DENSITY APPROXIMATION

被引：222

作者：

SUGINO, O ^{[1
]}

OSHIYAMA, A ^{[1
]}

机构：

[1] NEC CORP LTD, MICROELECTR RES LABS, 34 MIYUKIGAOKA, TSUKUBA 305, JAPAN

来源：

PHYSICAL REVIEW LETTERS | 1992年 / 68卷 / 12期

关键词：

D O I：

10.1103/PhysRevLett.68.1858

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We have performed large-scale total-energy electronic-structure calculations within the local-density approximation for the negatively charged vacancy in Si. The obtained Jahn-Teller distortion, the electronic structures, and the hyperfine coupling tensors are in good agreement with the experimental data available, indicating the validity of the one-electron theory, contrary to the prevailing picture based on model calculations.

引用

页码：1858 / 1861

页数：4

共 23 条

[1]

ANDERSON FG, 1991, IN PRESS 16TH P INT

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

BACHELET, GB ;

HAMANN, DR ;

SCHLUTER, M .

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

[3] MEAN-VALUE POINT IN BRILLOUIN ZONE [J].

BALDERESCHI, A .

PHYSICAL REVIEW B, 1973, 7 (12) :5212-5215

[4] SELF-CONSISTENT GREENS FUNCTION CALCULATION OF IDEAL SI VACANCY [J].

BARAFF, GA ;

SCHLUTER, M .

PHYSICAL REVIEW LETTERS, 1978, 41 (13) :892-895

[5] NEW SELF-CONSISTENT APPROACH TO THE ELECTRONIC-STRUCTURE OF LOCALIZED DEFECTS IN SOLIDS [J].

BARAFF, GA ;

SCHLUTER, M .

PHYSICAL REVIEW B, 1979, 19 (10) :4965-4979

[6] THEORY OF THE SILICON VACANCY - AN ANDERSON NEGATIVE-U SYSTEM [J].

BARAFF, GA ;

KANE, EO ;

SCHLUTER, M .

PHYSICAL REVIEW B, 1980, 21 (12) :5662-5686

[7] SILICON VACANCY - POSSIBLE ANDERSON NEGATIVE-U SYSTEM [J].

BARAFF, GA ;

KANE, EO ;

SCHLUTER, M .

PHYSICAL REVIEW LETTERS, 1979, 43 (13) :956-959

[8] SELF-CONSISTENT METHOD FOR POINT-DEFECTS IN SEMICONDUCTORS - APPLICATION TO VACANCY IN SILICON [J].

BERNHOLC, J ;

LIPARI, NO ;

PANTELIDES, ST .

PHYSICAL REVIEW LETTERS, 1978, 41 (13) :895-899

[9] SCATTERING-THEORETIC METHOD FOR DEFECTS IN SEMICONDUCTORS .2. SELF-CONSISTENT FORMULATION AND APPLICATION TO THE VACANCY IN SILICON [J].

BERNHOLC, J ;

LIPARI, NO ;

PANTELIDES, ST .

PHYSICAL REVIEW B, 1980, 21 (08) :3545-3562

[10] SELF-CONSISTENT CALCULATIONS OF THE ENERGY-BANDS AND BONDING PROPERTIES OF B-12(C-3) [J].

BYLANDER, DM ;

KLEINMAN, L ;

LEE, S .

PHYSICAL REVIEW B, 1990, 42 (02) :1394-1403

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