III-V SEMICONDUCTOR MICROCLUSTERS - STRUCTURES, STABILITY, AND MELTING

被引：79
作者：
ANDREONI, W
机构：
[1] IBM Research Division, Zurich Research Laboratory
来源：
PHYSICAL REVIEW B | 1992年 / 45卷 / 08期
关键词：
D O I：
10.1103/PhysRevB.45.4203
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The structural properties of GanAsn, GanPn, and AlnAsn clusters, n = 2-5, are determined using the Car-Parrinello method. These ab initio results show the existence of a critical size for the advent of alternating arrangements of cations and anions in the case of Ga compounds, in agreement with current interpretations of reactivity measurements. The constant presence of severe undercoordination with respect to the bulk is found in agreement with indications from photoabsorption data on InP. The influence of bond ionicity and size mismatch on the structures of the monatomic isoelectronic clusters is clarified. The effects of temperature are also investigated through simulations of hot (melted) clusters.
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页码：4203 / 4207
页数：5
相关论文
共 30 条
[1]   TUNNELING MICROSCOPY AND SPECTROSCOPY OF MOLECULAR-BEAM EPITAXY GROWN GAAS-ALGAAS INTERFACES [J].
ALBREKTSEN, O ;
ARENT, DJ ;
MEIER, HP ;
SALEMINK, HWM .
APPLIED PHYSICS LETTERS, 1990, 57 (01) :31-33
[2]   TRANSFERABILITY OF BULK EMPIRICAL POTENTIALS TO SILICON MICROCLUSTERS - A CRITICAL-STUDY [J].
ANDREONI, W ;
PASTORE, G .
PHYSICAL REVIEW B, 1990, 41 (14) :10243-10246
[3]   COMPUTER-SIMULATIONS OF SMALL SEMICONDUCTOR AND METAL-CLUSTERS [J].
ANDREONI, W .
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1991, 19 (1-4) :31-36
[4]  
ANDREONI W, 1988, 19TH P INT C PHYS SE, P1759
[5]  
ANDREONI W, 1989, NATO ADV STUDY I B, V189, P129
[6]  
ANDREONI W, 1990, CHEM PHYSICS ATOMIC, P159
[7]  
ANDREONI W, IN PRESS J CHEM PHYS
[8]  
ANDREONI W, UNPUB
[9]   SPECTROSCOPIC CONSTANTS AND POTENTIAL-ENERGY CURVES OF HEAVY P-BLOCK DIMERS AND TRIMERS [J].
BALASUBRAMANIAN, K .
CHEMICAL REVIEWS, 1990, 90 (01) :93-167
[10]   ENUMERATION OF THE ISOMERS OF THE GALLIUM-ARSENIDE CLUSTERS (GAMASN) [J].
BALASUBRAMANIAN, K .
CHEMICAL PHYSICS LETTERS, 1988, 150 (1-2) :71-77
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