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...
Main Authors: | , , , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2018-09-01
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Series: | Materials |
Subjects: | |
Online Access: | http://www.mdpi.com/1996-1944/11/9/1596 |