Clarification of the GaP(001)(2x4) Ga-rich reconstruction by scanning tunneling microscopy and ab initio theory

被引：25

作者：

Lüdge, K

Vogt, P

Pulci, O

Esser, N

Bechstedt, F

Richter, W

机构：

[1] Tech Univ Berlin, Inst Festkorperphys, D-10623 Berlin, Germany

[2] Univ Jena, Inst Festkorperphys & Theoret Opt, D-07743 Jena, Germany

来源：

PHYSICAL REVIEW B | 2000年 / 62卷 / 16期

关键词：

D O I：

10.1103/PhysRevB.62.11046

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We infer the structure of the GaP(001)(2x4) surface from a study of scanning tunneling microscopy (STM) images obtained under UHV conditions on metal-organic vapor phase epitaxy grown samples. STM images are compared with results of first-principles calculations for models energetically most favorable under Ga-rich growth conditions. The comparison shows that the GaP(001)(2x4) surface unit cell consists of a mixed Ga-P dimer on top of a complete gallium layer, hence ruling out the Cia-Ga dimer model.

引用

收藏

页码：11046 / 11049

页数：4

相关论文

共 21 条

[1] Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics [J].

Bockstedte, M ;

Kley, A ;

Neugebauer, J ;

Scheffler, M .

COMPUTER PHYSICS COMMUNICATIONS, 1997, 107 (1-3) :187-222

[2] GaP(001) and InP(001): Reflectance anisotropy and surface geometry [J].

Esser, N ;

Schmidt, WG ;

Bernholc, J ;

Frisch, AM ;

Vogt, P ;

Zorn, M ;

Pristovsek, M ;

Richter, W ;

Bechstedt, F ;

Hannappel, T ;

Visbeck, S .

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B, 1999, 17 (04) :1691-1696

[3] (2x4) GaP(001) surface: Atomic structure and optical anisotropy [J].

Frisch, AM ;

Schmidt, WG ;

Bernholc, J ;

Pristovsek, M ;

Esser, N ;

Richter, W .

PHYSICAL REVIEW B, 1999, 60 (04) :2488-2494

[4] GENERALIZED NORM-CONSERVING PSEUDOPOTENTIALS [J].

HAMANN, DR .

PHYSICAL REVIEW B, 1989, 40 (05) :2980-2987

[5] INHOMOGENEOUS ELECTRON-GAS [J].

RAJAGOPAL, AK ;

CALLAWAY, J .

PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919

[6]

JUNG MM, 1996, SURF SCI, V365, P136

[7] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].

KOHN, W ;

SHAM, LJ .

PHYSICAL REVIEW, 1965, 140 (4A) :1133-&

[8] Scanning tunneling microscopy study of InP(100)-(2x4): An exception to the dimer model [J].

MacPherson, CD ;

Wolkow, RA ;

Mitchell, CEJ ;

McLean, AB .

PHYSICAL REVIEW LETTERS, 1996, 77 (04) :691-694

[9] Cation-rich (100) surface reconstructions of InP and GaP [J].

Mirbt, S ;

Moll, N ;

Cho, K ;

Joannopoulos, JD .

PHYSICAL REVIEW B, 1999, 60 (19) :13283-13286

[10] Ga-rich GaP(001)(2x4) surface structure studied by low-energy ion scattering spectroscopy [J].

Naitoh, M ;

Konishi, A ;

Inenaga, H ;

Nishigaki, S ;

Oishi, N ;

Shoji, F .

SURFACE SCIENCE, 1998, 402 (1-3) :623-627