학술논문
Comment on 'the ground-state structures of Au, Au8 Ni and Au9 Ni clusters'.
Document Type
Article
Source
Subject
*DENSITY functional theory
*CLUSTER theory (Nuclear physics)
*ATOMS
*DOPED semiconductors
*ANIONS
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Language
ISSN
0217-9792
Abstract
The lowest energy structures of Au and AuNi ( = 2-9) clusters have been researched using the CALYPSO structure searching method in conjunction with the density functional theory. It is found that the most stable structures of Au, Au8Ni and Au9Ni clusters reported by Tang et al. [C. M. Tang, X. X. Chen and X. D. Yang, Int. J. Mod. Phys. B 28, 1450138 (2014)] are low-lying isomers. The correct ground states and vibrational spectra are given in this paper. [ABSTRACT FROM AUTHOR]