PHONON NODES OF DIAMOND (100) SURFACES FROM AB-INITIO CALCULATIONS

被引：52

作者：

ALFONSO, DR

DRABOLD, DA

ULLOA, SE

机构：

[1] OHIO UNIV,CONDENSED MATTER & SURFACE SCI PROGRAM,ATHENS,OH 45701

[2] OHIO UNIV,DEPT PHYS & ASTRON,ATHENS,OH 45701

来源：

PHYSICAL REVIEW B | 1995年 / 51卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.51.1989

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present a realistic theoretical study of the surface-phonon spectra of diamond (100) surfaces. Our results reproduce the major features of the vibrational spectra of clean and hydrogenated diamond (100)-(2×1) surfaces obtained from experiments. The reconstruction of the diamond (100)-(2×1) surface yields a rich spectrum of surface modes and we identify surface features involving excitations of the surface dimer. We detail connections between atomistic surface modes and peaks observed in surface probes measuring vibrational excitations. © 1995 The American Physical Society.

引用

收藏

页码：1989 / 1992

页数：4

相关论文

共 17 条

[1] ABINITIO MOLECULAR DYNAMIC RELAXATION APPLIED TO THE SILICON(111)-5X5 SURFACE RECONSTRUCTION [J].

ADAMS, GB ;

SANKEY, OF .

PHYSICAL REVIEW LETTERS, 1991, 67 (07) :867-870

[2] HIGH-RESOLUTION ELECTRON-ENERGY-LOSS SPECTROSCOPIC STUDY OF EPITAXIALLY GROWN DIAMOND (111) AND (100) SURFACES [J].

AIZAWA, T ;

ANDO, T ;

KAMO, M ;

SATO, Y .

PHYSICAL REVIEW B, 1993, 48 (24) :18348-18351

[3]

ALERHAND OL, 1988, PHYS REV B, V37, P2356

[4] HYDROCARBON ADSORPTION ON A DIAMOND (100) STEPPED SURFACE [J].

ALFONSO, DR ;

ULLOA, SE ;

BRENNER, DW .

PHYSICAL REVIEW B, 1994, 49 (07) :4948-4953

[5] SURFACE VIBRATIONAL EXCITATIONS ON SI(001)2X1 [J].

ALLAN, DC ;

MELE, EJ .

PHYSICAL REVIEW LETTERS, 1984, 53 (08) :826-829

[6] EMPIRICAL POTENTIAL FOR HYDROCARBONS FOR USE IN SIMULATING THE CHEMICAL VAPOR-DEPOSITION OF DIAMOND FILMS [J].

BRENNER, DW .

PHYSICAL REVIEW B, 1990, 42 (15) :9458-9471

[7] PROPERTIES OF THE AL-SI SOLID-SOLUTION - DYNAMICAL PROPERTIES OF THE SILICON SUBSTITUTIONAL AND THE ALUMINUM VACANCY [J].

CARO, A ;

DRABOLD, DA ;

SANKEY, OF .

PHYSICAL REVIEW B, 1994, 49 (10) :6647-6654

[8] TIGHT-BINDING STUDY OF HYDROGEN ON THE C(111), C(100), AND C(110) DIAMOND SURFACES [J].

DAVIDSON, BN ;

PICKETT, WE .

PHYSICAL REVIEW B, 1994, 49 (16) :11253-11267

[9] THEORY OF DIAMOND-LIKE AMORPHOUS-CARBON [J].

DRABOLD, DA ;

FEDDERS, PA ;

STUMM, P .

PHYSICAL REVIEW B, 1994, 49 (23) :16415-16422

[10] EFFICIENT ABINITIO MOLECULAR-DYNAMICS SIMULATIONS OF CARBON [J].

DRABOLD, DA ;

WANG, RP ;

KLEMM, S ;

SANKEY, OF ;

DOW, JD .

PHYSICAL REVIEW B, 1991, 43 (06) :5132-5134