Monte Carlo determination of heteroepitaxial misfit structures

被引：5

作者：

Baker, J ^{[1
]}

Lindgard, PA ^{[1
]}

机构：

[1] RISO NATL LAB,DEPT CONDENSED MATTER PHYS,DK-4000 ROSKILDE,DENMARK

来源：

PHYSICAL REVIEW B | 1996年 / 54卷 / 16期

关键词：

D O I：

10.1103/PhysRevB.54.R11137

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We use Monte Carlo simulations to determine the structure of KBr overlayers on a NaCl(001) substrate, a system with large (17%) heteroepitaxial misfit. The equilibrium relaxation structure is determined for films of 2-6 ML, for which extensive helium-atom scattering data exist for comparison. The films are found to rumple with a periodicity in agreement with the diffraction peak positions, and with rumple magnitudes in agreement with those calculated from relative diffraction peak heights. Satellite peaks and streaks in the diffuse x-ray scattering are predicted.

引用

页码：11137 / 11140

页数：4

共 17 条

[1]

BAKER J, 1996, STABILITY MAT, V355, P185

[2] INTERIONIC POTENTIALS AND EPITAXY ON NACL(001) AND KBR(001) [J].

CELLI, V ;

URZUA, G .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1993, 5 :B91-B98

[3] RELAXATION OF THE ROCKSALT (001) SURFACE - ALKALI-HALIDES, MGO, AND PBS [J].

DEWETTE, FW ;

KRESS, W ;

SCHRODER, U .

PHYSICAL REVIEW B, 1985, 32 (06) :4143-4157

[4] EPITAXIAL-GROWTH OF KBR ONTO NACL(001) BY HIGH-RESOLUTION HE ATOM SCATTERING [J].

DUAN, J ;

BISHOP, GG ;

GILLMAN, ES ;

CHERN, G ;

SAFRON, SA ;

SKOFRONICK, JG .

SURFACE SCIENCE, 1992, 272 (1-3) :220-228

[5] On the stability of certain heteropolar crystals [J].

Evjen, HM .

PHYSICAL REVIEW, 1932, 39 (04) :675-687

[6]

Ewald PP, 1921, ANN PHYS-BERLIN, V64, P253

[7] ONE-DIMENSIONAL DISLOCATIONS .1. STATIC THEORY [J].

FRANK, FC ;

VANDERMERWE, JH .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1949, 198 (1053) :205-216

[8]

Frenkel J., 1938, PHYS SOVIET, V8, P1340

[9] EMPIRICAL POTENTIAL PARAMETERS FOR ALKALI-HALIDE MOLECULES AND CRYSTALS, HYDROGEN HALIDE MOLECULES, ALKALI-METAL DIMERS, AND HYDROGEN AND HALOGEN MOLECULES [J].

GOWDA, BT ;

BENSON, SW .

JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (05) :847-857

[10] STRAIN RELAXATION IN HEXAGONALLY CLOSE-PACKED METAL-METAL INTERFACES [J].

GUNTHER, C ;

VRIJMOETH, J ;

HWANG, RQ ;

BEHM, RJ .

PHYSICAL REVIEW LETTERS, 1995, 74 (05) :754-757

← 1 2 →