Surface segregation behavior of B, Ga, and Sb during Si MBE: Calculations using a first-principles method

被引：22

作者：

Ushio, J ^{[1
]}

Nakagawa, K ^{[1
]}

Miyao, M ^{[1
]}

Maruizumi, T ^{[1
]}

机构：

[1] Hitachi Ltd, Cent Res Lab, Kokubunji, Tokyo 185, Japan

来源：

PHYSICAL REVIEW B | 1998年 / 58卷 / 07期

关键词：

D O I：

10.1103/PhysRevB.58.3932

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The potential energies of B, Ga, and Sb dopant atoms in the three top layers of Si(100) surfaces were evaluated using density-functional calculations of the model clusters. The different behaviors of the dopants in surface segregation during silicon molecular-beam epitaxy can be understood by considering the dopant-Si bond energies as the driving force for segregation. The energy of the B-SI bond is greater than that of the Si-Si bond, which precludes segregation, while the weaker Ga-Si and Sb-Si bonds favor it.

引用

收藏

页码：3932 / 3936

页数：5

相关论文

共 17 条

[1] MODEL POTENTIAL CALCULATIONS FOR 2ND-ROW TRANSITION-METAL MOLECULES WITHIN THE LOCAL-SPIN-DENSITY METHOD [J].

ANDZELM, J ;

RADZIO, E ;

SALAHUB, DR .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (09) :4573-4580

[2] ARBITRARY DOPING PROFILES PRODUCED BY SB-DOPED SI MBE [J].

BEAN, JC .

APPLIED PHYSICS LETTERS, 1978, 33 (07) :654-656

[3] ACCEPTOR DOPANTS IN SILICON MOLECULAR-BEAM EPITAXY [J].

BECKER, GE ;

BEAN, JC .

JOURNAL OF APPLIED PHYSICS, 1977, 48 (08) :3395-3399

[4] ANALYTICAL GRADIENT OF THE LINEAR COMBINATION OF GAUSSIAN-TYPE ORBITALS LOCAL SPIN-DENSITY ENERGY [J].

FOURNIER, R ;

ANDZELM, J ;

SALAHUB, DR .

JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (11) :6371-6377

[5] OPTIMIZATION OF GAUSSIAN-TYPE BASIS-SETS FOR LOCAL SPIN-DENSITY FUNCTIONAL CALCULATIONS .1. BORON THROUGH NEON, OPTIMIZATION TECHNIQUE AND VALIDATION [J].

GODBOUT, N ;

SALAHUB, DR ;

ANDZELM, J ;

WIMMER, E .

CANADIAN JOURNAL OF CHEMISTRY, 1992, 70 (02) :560-571

[6]

HARRIS JJ, 1984, APPL PHYS A-MATER, V33, P87, DOI 10.1007/BF00617613

[7] MODEL OF KINETICS AND EQUILIBRIA OF SURFACE SEGREGATION IN MONOLAYER REGIME [J].

HOFMANN, S ;

ERLEWEIN, J .

SURFACE SCIENCE, 1978, 77 (03) :591-602

[8] SURFACE SEGREGATION OF SB ON SI(100) DURING MOLECULAR-BEAM EPITAXY GROWTH [J].

JORKE, H .

SURFACE SCIENCE, 1988, 193 (03) :569-578

[9] P-TYPE-DELTA DOPING IN SILICON MBE [J].

MATTEY, NL ;

HOPKINSON, M ;

HOUGHTON, RF ;

DOWSETT, MG ;

MCPHAIL, DS ;

WHALL, TE ;

PARKER, EHC ;

BOOKER, GR ;

WHITEHURST, J .

THIN SOLID FILMS, 1990, 184 :15-19

[10] INFLUENCE OF SUBSTRATE ORIENTATION ON SURFACE SEGREGATION PROCESS IN SILICON-MBE [J].

NAKAGAWA, K ;

MIYAO, M ;

SHIRAKI, Y .

THIN SOLID FILMS, 1989, 183 :315-322