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First-principles investigation of the asymmetric contact effect on current-voltage characteristics of a molecular device

✍ Scribed by Zhang, Z.; Yang, Z.; Yuan, J.; Qiu, M.


Book ID
121692781
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
319 KB
Volume
128
Category
Article
ISSN
0021-9606

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The effect of the cation doping on the electronic structure of spinel LiM y Mn 22y O 4 (M ΒΌ Cr, Mn, Fe, Co and Ni) has been calculated by first-principles. Our calculation shows that new M-3d bands emerge in the density of states compared with that in LiMn 2 O 4 . Simultaneously, the new O-2p bands