First-principles calculations of effects of pressure on paramagnetic, ferromagnetic, and antiferromagnetic spin-web Cu<sub>3</sub>TeO<sub>6</sub>.

First-principles calculations of effects of pressure on paramagnetic, ferromagnetic, and antiferromagnetic spin-web Cu₃TeO₆.

Du, Yi-Hua; Zeng, Wei; Tang, Bin; Zhong, Mi; Liu, Qi-Jun; Liu, Fu-Sheng; Ma, Xiao-Juan.

Du YH; School of Physical Science and Technology, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Southwest Jiaotong University, Chengdu, 610031, People's Republic of China. NikkyDYH@my.swjtu.edu.cn.
Zeng W; Teaching and Research Group of Chemistry, College of Medical Technology, Chengdu University of Traditional Chinese Medicine, Chengdu, 610075, People's Republic of China.
Tang B; State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi'an, 710072, People's Republic of China.
Zhong M; School of Physical Science and Technology, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Southwest Jiaotong University, Chengdu, 610031, People's Republic of China.
Liu QJ; School of Physical Science and Technology, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Southwest Jiaotong University, Chengdu, 610031, People's Republic of China.
Liu FS; School of Physical Science and Technology, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Southwest Jiaotong University, Chengdu, 610031, People's Republic of China.
Ma XJ; School of Physical Science and Technology, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Southwest Jiaotong University, Chengdu, 610031, People's Republic of China. mxj_swjtu@126.com.

J Mol Model ; 27(5): 129, 2021 Apr 21.

Article en En | MEDLINE | ID: mdl-33884502