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

Du, YH; Zeng, W; Tang, B; Zhong, M; Liu, QJ; Liu, FS; Ma, XJ

Du, YH; Ma, XJ (corresponding author), Southwest Jiaotong Univ, Sch Phys Sci & Technol, Key Lab Adv Technol Mat, Minist Educ China, Chengdu 610031, Peoples R China.

JOURNAL OF MOLECULAR MODELING, 2021; 27 (5):

Abstract

The structure, electronic, and magnetic properties have been investigated by the first-principles calculations for paramagnetic, ferromagnetic, and an......

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