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• W1964592017 abstract "Abstract The dimer structure of an As-stabilized (001) AlAs surface was analyzed based on the cluster model by using ab initio molecular orbital calculations. The surface As dimer was modeled by Al 4 As 4 H 12 (cluster 1) and Al 7 As 8 H 19 (cluster 2) clusters. It was shown that the electron counting model was satisfied for cluster 2, while it was not satisfied for cluster 1. In both clusters, the electronic state of the reconstructed surface was shown to be differ greatly from that of the non-reconstructed surface. The ground state of cluster 2 was 1 A 1 , where a σ bond was formed between the two surface As atoms, and each surface As atom had a doubly occupied dangling bond. The bond length of the dimer was calculated to be 2.7 A. The mechanism whereby the electron counting model was satisfied for cluster 2, but not for cluster 1, was clarified." @default.
• W1964592017 created "2016-06-24" @default.
• W1964592017 creator A5000375725 @default.
• W1964592017 creator A5044640766 @default.
• W1964592017 date "1995-05-01" @default.
• W1964592017 modified "2023-09-27" @default.
• W1964592017 title "Ab initio study on the As-stabilized surface structure in AlAs molecular beam epitaxy" @default.
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• W1964592017 doi "https://doi.org/10.1016/0022-0248(95)80200-v" @default.
• W1964592017 hasPublicationYear "1995" @default.
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