EMPIRICAL TIGHT-BINDING TOTAL ELECTRONIC-ENERGY CALCULATION FOR SINH2M (N = 1 TO 6, M = 1 TO 3) CLUSTERS

被引:4
作者
KATIRCIOGLU, S
ERKOC, S
机构
[1] Department of Physics, Middle East Technical University, Ankara
来源
PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1993年 / 177卷 / 02期
关键词
D O I
10.1002/pssb.2221770212
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The stable structures of SinH2m (n = 1 to 6, m = 1 to 3) clusters are investigated by the total electronic energy calculation using an empirical tight-binding (ETB) method. It seems that bridged H-bond models are also possible for small Si(n)H(m) clusters.
引用
收藏
页码:373 / 378
页数:6
相关论文
共 19 条
[1]   GEOMETRICAL STRUCTURES, FORCE-CONSTANTS, AND VIBRATIONAL-SPECTRA OF SIH, SIH2, SIH3, AND SIH4 [J].
ALLEN, WD ;
SCHAEFER, HF .
CHEMICAL PHYSICS, 1986, 108 (02) :243-274
[2]  
BELLISSENT R, 1983, J NON-CRYST SOLIDS, V59-6, P229, DOI 10.1016/0022-3093(83)90563-X
[3]   NONCLASSICAL DOUBLE-BRIDGED STRUCTURE IN SILICON-CONTAINING MOLECULES - EXPERIMENTAL-EVIDENCE IN SI2H2 FROM ITS SUBMILLIMETER-WAVE SPECTRUM [J].
BOGEY, M ;
BOLVIN, H ;
DEMUYNCK, C ;
DESTOMBES, JL .
PHYSICAL REVIEW LETTERS, 1991, 66 (04) :413-416
[4]   X-RAY PHOTOEMISSION CROSS-SECTION MODULATION IN DIAMOND, SILICON, GERMANIUM, METHANE, SILANE, AND GERMANE [J].
CAVELL, RG ;
KOWALCZYK, SP ;
LEY, L ;
POLLAK, RA ;
MILLS, B ;
SHIRLEY, DA ;
PERRY, W .
PHYSICAL REVIEW B, 1973, 7 (12) :5313-5316
[5]   LINEAR DEFECTS IN POST HYDROGENATED AMORPHOUS-SILICON EVIDENCED BY HIGH-RESOLUTION ELECTRON-MICROSCOPY (HREM) [J].
CHENEVASPAULE, A ;
BOURRET, A .
JOURNAL OF NON-CRYSTALLINE SOLIDS, 1983, 59-6 (DEC) :233-236
[6]   THE SILICON ANALOG OF BENZENE HEXASILABENZENE (SI6H6) [J].
CLABO, DA ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (03) :1664-1669
[7]   THEORETICAL-STUDY OF SI2HN (N=0-6) AND SI2HN+ (N=0-7) - APPEARANCE POTENTIALS, IONIZATION-POTENTIALS, AND ENTHALPIES OF FORMATION [J].
CURTISS, LA ;
RAGHAVACHARI, K ;
DEUTSCH, PW ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (04) :2433-2444
[8]   DETECTION OF SIH(X-2-PI) FUNDAMENTAL AND HOT BAND TRANSITIONS BY DIODE-LASER ABSORPTION-SPECTROSCOPY [J].
DAVIES, PB ;
ISAACS, NA ;
JOHNSON, SA ;
RUSSELL, DK .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (05) :2060-2063
[9]   INTERACTION OF WATER MOLECULE WITH SILICON SURFACES [J].
KATIRCIOGLU, S .
SURFACE SCIENCE, 1987, 187 (2-3) :569-579
[10]   DIHYDRIDE PHASE ON SI(1 1 0) SURFACE [J].
KATIRCIOGLU, S ;
CIRACI, S .
SOLID STATE COMMUNICATIONS, 1985, 56 (10) :877-880