VIBRATIONAL FREQUENCIES OF SI-P-H COMPLEXES IN CRYSTALLINE SILICON - A THEORETICAL-STUDY

被引：20

作者：

BONAPASTA, AA ^{[1
]}

GIANNOZZI, P ^{[1
]}

CAPIZZI, M ^{[1
]}

机构：

[1] UNIV ROME LA SAPIENZA,DEPARTIMENTO FIS,I-00185 ROME,ITALY

来源：

PHYSICAL REVIEW B | 1990年 / 42卷 / 05期

关键词：

D O I：

10.1103/PhysRevB.42.3175

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Atomic complexes formed by silicon, hydrogen, and phosphorus in crystalline silicon have been studied by using the pseudopotential-density-functional method in a supercell approach. The bending and the stretching H mode energies have been estimated for the stable and the metastable sites of the H atom. Their values for the stable H site (i.e., the antibonding silicon one) are in very good agreement with those of two infrared-absorption lines. © 1990 The American Physical Society.

引用

页码：3175 / 3178

页数：4

共 32 条

[1]

[Anonymous], 1937, EINFUHRUNG QUANTENCH

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

BALDERESCHI, A .

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

[3] ABINITIO CALCULATION OF THE MACROSCOPIC DIELECTRIC-CONSTANT IN SILICON [J].

BARONI, S ;

RESTA, R .

PHYSICAL REVIEW B, 1986, 33 (10) :7017-7021

[4] STRUCTURE OF ACCEPTOR-HYDROGEN AND DONOR-HYDROGEN COMPLEXES IN SILICON FROM UNIAXIAL-STRESS STUDIES [J].

BERGMAN, K ;

STAVOLA, M ;

PEARTON, SJ ;

HAYES, T .

PHYSICAL REVIEW B, 1988, 38 (14) :9643-9648

[5] DONOR-HYDROGEN COMPLEXES IN PASSIVATED SILICON [J].

BERGMAN, K ;

STAVOLA, M ;

PEARTON, SJ ;

LOPATA, J .

PHYSICAL REVIEW B, 1988, 37 (05) :2770-2773

[6] SI-P-H COMPLEXES IN CRYSTAL SILICON - A THEORETICAL-STUDY [J].

BONAPASTA, AA ;

LAPICCIRELLA, A ;

TOMASSINI, N ;

CAPIZZI, M .

PHYSICAL REVIEW B, 1989, 39 (17) :12630-12632

[7] HYDROGEN PASSIVATION OF SHALLOW ACCEPTORS IN C-SI - AN ABINITIO APPROACH [J].

BONAPASTA, AA ;

LAPICCIRELLA, A ;

TOMASSINI, N ;

CAPIZZI, M .

PHYSICAL REVIEW B, 1987, 36 (11) :6228-6230

[8]

CALLOMON JH, 1976, STRUCTURAL DATA FREE, V7

[9] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].

CEPERLEY, DM ;

ALDER, BJ .

PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569

[10] SPECIAL POINTS IN BRILLOUIN ZONE [J].

CHADI, DJ ;

COHEN, ML .

PHYSICAL REVIEW B, 1973, 8 (12) :5747-5753

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