Electronic and magnetic properties of Ti(2)O(3), Cr(2)O(3), and Fe(2)O(3) calculated by the screened exchange hybrid density functional.
作者： Yuzheng Guo , Stewart J Clark , John Robertson
DOI: 10.1088/0953-8984/24/32/325504
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摘要: The electronic and magnetic properties of the transition metal sesqui-oxides Cr 2 O 3, Ti 2 O 3, and Fe 2 O 3 have been calculated using the screened exchange (sX) hybrid density …
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