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Thermal behavior of Cu-Co bimetallic clusters

Author(s)
Wang, JLDing, FShen, WFLi, TXWang, GHZhao, JJ
Issued Date
2001
DOI
10.1016/S0038-1098(01)00211-3
URI
https://scholarworks.unist.ac.kr/handle/201301/31445
Fulltext
https://www.sciencedirect.com/science/article/pii/S0038109801002113?via%3Dihub
Citation
SOLID STATE COMMUNICATIONS, v.119, no.1, pp.13 - 18
Abstract
Based on a Gupta-like many-body potential, we have investigated the thermal behavior of Co-Cu bimetallic clusters with n = 18, 19, 20 by using Monte Carlo techniques. A relation between duster melting temperature and Cu concentration is obtained. We find the melting behavior of a bimetallic cluster strongly depends on the component materials, stoichiometries, size and structure of the cluster. The structural transition between isomers or degenerated states happens in the 18-atom clusters. Local melting occurs in the Co13Cu5 cluster because of the segregation of Cu and a novel layered structure.
Publisher
PERGAMON-ELSEVIER SCIENCE LTD
ISSN
0038-1098
Keyword (Author)
heat capacitymetalspin dynamics
Keyword
TRANSITION-METAL CLUSTERSGAS CORRELATION-ENERGYGENETIC-ALGORITHMMOLECULAR-DYNAMICSTHERMODYNAMICSMICROCLUSTERSPOTENTIALS

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