An accurate theoretical study on intrinsic defect energetics in rutile TiO2

MA Xin-guo(马新国), JIANG Jian-jun(江建军), LIANG Pei(梁  培), WANG Juan(王  娟)

Transactions of Nonferrous Metals Society of China ›› 2007, Vol. 17 ›› Issue (Special 1) : 50-54.

Transactions of Nonferrous Metals Society of China ›› 2007, Vol. 17 ›› Issue (Special 1) : 50-54.
Phase Diagrams and Computational Materials Science

An accurate theoretical study on intrinsic defect energetics in rutile TiO2

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