Electronic properties of C28 and Hf@C28
β
Zhi-quian Li; Bing-lin Gu; Ru-shan Han
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Article
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1993
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Elsevier Science
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English
β 366 KB
The structure and electronic properties of C2s and Hf@Cts clusters are studied using the DV-SCM method in the local density approximation. The Cxs cluster has an open electronic structure with four unpaired electrons. A tetravalent Hf atom could stabilize the cluster with an exceptional LUMO-HOMO ga