An ab initio molecular orbital study of the electron affinity of boron clusters
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS（1999）
摘要
The electron affinities of boron clusters were studied using ab initio molecular orbital methods to discuss the phenomenon of clustered boron anions emitted during sputtering. Calculations were performed at the MP4(SDQ)/CBSB5 level. The calculated electron affinities of B, B-2 and B-3 were found to be 0.214, 3.66, and 3.20 eV, respectively. These values are qualitatively consistent with the experimental data of sputtering yield of B-, B-2(-), and B-3(-). (C) 1999 Elsevier Science B.V. All rights reserved.
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关键词
boron,cluster,electron affinity,sputtering,ab initio MO calculation
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