Electronic structure and magnetism of MnSb2Te4

• Published in: Journal of materials science Vol. 55; no. 29; pp. 14292 - 14300
• Main Authors: Chen, Li, Wang, Dongchao, Shi, Changmin, Jiang, Chuan, Liu, Hongmei, Cui, Guangliang, Zhang, Xiaoming, Li, Xiaolong
• Format: Journal Article
• Language: English
• Published: New York Springer US 01.10.2020; Springer Nature B.V
• Subjects: Antiferromagnetism; Characterization and Evaluation of Materials; Chemistry and Materials Science; Classical Mechanics; Computation & Theory; Crystal structure; Crystallography and Scattering Methods; Electronic structure; energy; Energy gap; ferrimagnetic materials; Ferromagnetic materials; Ferromagnetic phases; ferromagnetism; films (materials); First principles; Magnetic semiconductors; Magnetism; Materials Science; metalloids; Polymer Sciences; semiconductors; Solid Mechanics; Tensile strain; tensile strength; Thin films
• ISSN: 0022-2461; 1573-4803
• DOI: 10.1007/s10853-020-05005-7

MnSb 2 Te 4 has the same crystal structure as MnBi 2 Te 4 . Whether it is an intrinsic antiferromagnetic TI, quantum anomalous Hall insulator or axion insulator like MnBi 2 Te 4 [CHIN. PHYS. LETT. 36, (2019) 076801] has not been reported yet. The electronic structure and magnetism of MnSb 2 Te 4 have been studied using first-principles calculations. The results show that the MnSb 2 Te 4 is an antiferromagnetic semiconductor with a trivial energy gap (~ 0.132 eV). The band gap decreases to 0.057 eV under the tensile strain (1.03 a 0 , 1.03 c 0 ). The feature of Weyl semimetal could be presented in MnSb 2 Te 4 with ferromagnetic phase under strain 3%. Thin films (011) are metals with antiferromagnetic order and also metals with ferromagnetic order. Thin film (111) with alternate of thick (1 septuple layer–7 septuple layers) is an intrinsic magnetic semiconductor with a trivial energy gap (0.002–0.344 eV) rather than an intrinsic quantum anomalous Hall insulator or axion insulator.