First-Principles Studies on the Structural and Electronic Properties of As Clusters

First-Principles Studies on the Structural and Electronic Properties of As Clusters

Based on the genetic algorithm (GA) incorporated with density functional theory (DFT) calculations, the structural and electronic properties of neutral and charged arsenic clusters Asn (n = 2–24) are investigated. The size-dependent physical properties of neutral clusters, such as the bind...

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Bibliographic Details
Main Authors: Jialin Yan, Jingjing Xia, Qinfang Zhang, Binwen Zhang, Baolin Wang
Format: Article
Language:English
Published: MDPI AG 2018-09-01
Series:Materials
Subjects:
atomic clusters
density functional theory
genetic algorithm
Online Access:http://www.mdpi.com/1996-1944/11/9/1596

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http://www.mdpi.com/1996-1944/11/9/1596

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