Mechanism for the enhanced diffusion of charged oxygen ions in SiO2

被引：73

作者：

Jin, YG ^{[1
]}

Chang, KJ ^{[1
]}

机构：

[1] Korea Adv Inst Sci & Technol, Dept Phys, Taejon 305701, South Korea

来源：

PHYSICAL REVIEW LETTERS | 2001年 / 86卷 / 09期

关键词：

D O I：

10.1103/PhysRevLett.86.1793

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Based on real-space multigrid electronic structure calculations, we find that a double Si-O-Si bridge structure is the lowest energy configuration of interstitial oxygen ions (O- and O2-) in SiO2. where two additional Si-O bonds are formed with almost no interaction between the interstitial and host O atoms, while the peroxy linkage is the most stable structure for neutral interstitial O. We propose a diffusion mechanism of interstitial O ions generated from molecular O-2 under UV radiation, and find extremely low energy barriers of 0.11-0.27 eV for migration in the form of the double-bridge structure, in good agreement with enhanced oxidation experiments.

引用

页码：1793 / 1796

页数：4

共 17 条

[1]

BOYD IW, 1993, JPN J APPL PHYS 1, V32, P6141, DOI 10.1143/JJAP.32.6141

[2]

CABRERA N, 1949, REP PROG PHYS, V12, P164

[3] FINITE-DIFFERENCE-PSEUDOPOTENTIAL METHOD - ELECTRONIC-STRUCTURE CALCULATIONS WITHOUT A BASIS [J].

CHELIKOWSKY, JR ;

TROULLIER, N ;

SAAD, Y .

PHYSICAL REVIEW LETTERS, 1994, 72 (08) :1240-1243

[4] THE REACTION OF ATOMIC OXYGEN WITH SI(100) AND SI(111) .2. ADSORPTION, PASSIVE OXIDATION AND THE EFFECT OF COINCIDENT ION-BOMBARDMENT [J].

ENGSTROM, JR ;

BONSER, DJ ;

ENGEL, T .

SURFACE SCIENCE, 1992, 268 (1-3) :238-264

[5] DEFECT STRUCTURE OF GLASSES - SOME OUTSTANDING QUESTIONS IN REGARD TO VITREOUS SILICA [J].

GRISCOM, DL .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 1985, 73 (1-3) :51-77

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

Hamann, DR .

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

[7] Real-space electronic structure calculations of charged clusters and defects in semiconductors using a multigrid method [J].

Jin, YG ;

Jeong, JW ;

Chang, KJ .

PHYSICA B-CONDENSED MATTER, 1999, 273-4 :1003-1006

[8] LOW-TEMPERATURE OXIDATION OF SILICON IN A MICROWAVE-DISCHARGED OXYGEN PLASMA [J].

KIMURA, SI ;

MURAKAMI, E ;

MIYAKE, K ;

WARABISAKO, T ;

SUNAMI, H ;

TOKUYAMA, T .

JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1985, 132 (06) :1460-1466

[9] Mechanism of platinum-enhanced oxidation of silicon at low temperatures [J].

Kobayashi, H ;

Yuasa, T ;

Yamanaka, K ;

Yoneda, K ;

Todokoro, Y .

JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (12) :4997-5001

[10]

Lamkin M. A., 1992, Journal of the European Ceramic Society, V10, P347, DOI 10.1016/0955-2219(92)90010-B

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