Mechanisms of diffusion of boron impurities in SiO2 -: art. no. 075901

被引：25

作者：

Otani, M ^{[1
]}

Shiraishi, K ^{[1
]}

Oshiyama, A ^{[1
]}

机构：

[1] Univ Tsukuba, Dept Phys, Tsukuba, Ibaraki 3058571, Japan

来源：

PHYSICAL REVIEW LETTERS | 2003年 / 90卷 / 07期

关键词：

D O I：

10.1103/PhysRevLett.90.075901

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We report first-principle total-energy calculations that clarify mechanisms of boron diffusion in SiO2. We find that a B atom takes a variety of stable and metastable geometries depending on its charge state. We also find that atomic rearrangements during the diffusion manifest a wealth of bonding feasibility in SiO2 and that the calculated activation energy agrees with the experimental data available. Recombination enhanced diffusion is also proposed.

引用

页数：4

共 33 条

[1] Diffusion of boron, phosphorus, arsenic, and antimony in thermally grown silicon dioxide [J].

Aoyama, T ;

Tashiro, H ;

Suzuki, K .

JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1999, 146 (05) :1879-1883

[2] Hydrogen electrochemistry and stress-induced leakage current in silica [J].

Blöchl, PE ;

Stathis, JH .

PHYSICAL REVIEW LETTERS, 1999, 83 (02) :372-375

[3] 1ST-PRINCIPLES CALCULATIONS OF SELF-DIFFUSION CONSTANTS IN SILICON [J].

BLOCHL, PE ;

SMARGIASSI, E ;

CAR, R ;

LAKS, DB ;

ANDREONI, W ;

PANTELIDES, ST .

PHYSICAL REVIEW LETTERS, 1993, 70 (16) :2435-2438

[4] Silicon self-diffusion in isotope heterostructures [J].

Bracht, H ;

Haller, EE ;

Clark-Phelps, R .

PHYSICAL REVIEW LETTERS, 1998, 81 (02) :393-396

[5] MICROSCOPIC THEORY OF IMPURITY-DEFECT REACTIONS AND IMPURITY DIFFUSION IN SILICON [J].

CAR, R ;

KELLY, PJ ;

OSHIYAMA, A ;

PANTELIDES, ST .

PHYSICAL REVIEW LETTERS, 1985, 54 (04) :360-363

[6] MICROSCOPIC THEORY OF ATOMIC DIFFUSION MECHANISMS IN SILICON [J].

CAR, R ;

KELLY, PJ ;

OSHIYAMA, A ;

PANTELIDES, ST .

PHYSICAL REVIEW LETTERS, 1984, 52 (20) :1814-1817

[7] POINT-DEFECTS AND DOPANT DIFFUSION IN SILICON [J].

FAHEY, PM ;

GRIFFIN, PB ;

PLUMMER, JD .

REVIEWS OF MODERN PHYSICS, 1989, 61 (02) :289-384

[8] Physical models of boron diffusion in ultrathin gate oxides [J].

Fair, RB .

JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1997, 144 (02) :708-717

[9]

Frank W., 1984, DIFFUSION CRYSTALLIN

[10] Diffusion of atomic oxygen in SiO2 [J].

Hamann, DR .

PHYSICAL REVIEW LETTERS, 1998, 81 (16) :3447-3450

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