Published January 9, 2006 | Version v1
Journal article Metadata-only

Study of structure characteristics of the Ga8As8 cluster

Creators

  • 1. Department of Physics, Tsinghua University, Beijing 100084 (China) and Department of Physics and State Key Laboratory of Silicon Material, Zhejiang University, Hangzhou, Zhejiang 310027 (China)
  • 2. Department of Physics and State Key Laboratory of Silicon Material, Zhejiang University, Hangzhou, Zhejiang 310027 (China)
  • 3. Department of Physics, Tsinghua University, Beijing 100084 (China)

Description

We have investigated the structures and energies of Ga8As8 clusters using full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO MD) calculations. 10 stable structures were obtained for Ga8As8 clusters including the ring structure considered by Sun et al. [Chem. Phys. Lett. 381 (2003) 397]. More importantly, we got a new ground state structure, the cage-like structure with an As atom inside, the energy of which is far lower than the ring structure. Furthermore, we found that the ground state structure presents semiconductor-like properties through the calculation of the density of states

Additional details

Identifiers

DOI
10.1016/j.physleta.2005.08.055;
PII
S0375-9601(05)01310-1;

Publishing Information

Journal Title
Physics Letters. A
Journal Volume
349
Journal Issue
1-4
Journal Page Range
p. 224-229
ISSN
0375-9601
CODEN
PYLAAG

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
37066176
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
GALLIUM ARSENIDES; GROUND STATES; MOLECULAR DYNAMICS METHOD; MUFFIN-TIN POTENTIAL; RINGS; SEMICONDUCTOR MATERIALS
Descriptors DEC
ARSENIC COMPOUNDS; ARSENIDES; CALCULATION METHODS; ENERGY LEVELS; GALLIUM COMPOUNDS; MATERIALS; PNICTIDES; POTENTIALS

Optional Information

Copyright
Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.