期刊
APPLIED PHYSICS LETTERS
卷 97, 期 16, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3495786
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资金
- Ohio Supercomputer Center
- Ohio Board of Regents
The structural and electronic properties of the hydrides of silicene and germanene have been studied using ab initio calculations. The trend for the M-H (M=C, Si, and Ge) bond lengths, and corresponding bond energies, is consistent with the atomic size trend, and comparable to those of MH4 hydrides. Band structures were also obtained for the buckled configuration, which is the stable form for both silicene and germanene. Upon hydrogenation, both silicane (indirect gap) and germanane (direct gap) are semiconducting. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3495786]
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