S. Sheikholeslami, A. Shafiekhani
The atomic orbital basis and atomic pseudopotentia for electron-ion
interaction in framework of density function theory used tocalculate C70H84
spin polarized diamond cluster with neutral vacancy.The band gap has been found
to be 1.70 eV. The chosen cluster compriseselectronic properties depending on
thetype of its spin. It could be used as a datatransporter. The calculated band
gap, density of state and spin properties illustratehow beneficial it could be
in spintronic devices.
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http://arxiv.org/abs/1201.5956
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