Spin-Hamiltonian parameters and local structures for Co4+ and Ir4+ impurity centers in the tetragonal phase of SrTiO3.
The calculated results in the recent paper about the spin-Hamiltonian (SH) parameters (g factors g (//), g perpendicular and hyperfine structure constants A(//), A perpendicular) and the local structures of Co4+ and Ir4+ impurity centers in the tetragonal phase of SrTiO3 are doubtful because there are several mistakes in the calculations. So, we restudy the SH parameters and local structures by using the correct methods and parameters. From the studies, for Co4+ and Ir4+ in SrTiO3, the SH parameters are explained rationally, the signs of hyperfine structure constants A(//), A perpendicular are obtained and the suitable and more detailed local structures are given. The results are discussed.
Wen-Chen
Zheng
Z
Department of Material Science, Sichuan University, Chengdu 610064, People's Republic of China. zhengwc1@163.com
Hong-Gang
Liu
L
Gu-Ming
Jia
J
Lv
He
H
D002621:Chemistry / Q000379:methods; D002627:Chemistry, Physical / Q000379:methods; D003035:Cobalt / Q000737:chemistry*; D003460:Crystallization; D004563:Electrochemistry / Q000379:methods; D007477:Ions; D007495:Iridium / Q000737:chemistry*; D008024:Ligands; D015233:Models, Statistical; D010087:Oxides / Q000737:chemistry*; D015203:Reproducibility of Results; D013324:Strontium / Q000737:chemistry*; D014025:Titanium / Q000737:chemistry*
D007477:Ions; D008024:Ligands; D010087:Oxides; D003035:Cobalt; D007495:Iridium; D014025:Titanium; C119252:strontium titanium oxide; D013324:Strontium