Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7961123 | Computational Materials Science | 2014 | 5 Pages |
Abstract
Spin-polarized band structures for wurtzite YC at their predicted equilibrium lattice constants are shown. The left (right) column indicates the calculations are performed by using the GGA and GGA+mBJ, respectively. The red dot (blue) lines represent the up (down) spin channels. The horizontal short dash dot line indicates the Fermi level at 0Â eV.
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Computational Mechanics
Authors
S.W. Fan, X.P. Huang, L.J. Ding, Z.L. Wang, K.L. Yao,