Browsing Computational File Repository by Author "Yang, Kesong"
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TiO2: On the possibility of ferromagnetism
Yang, Kesong (2013-04-08)To see if ferromagnetism can occur in C-doped anatase TiO2, we performed first-principles calculations for a number of C-doped structures in which C atoms substitute O atoms. Our study shows that each C has spin-polarized ...