Abstract

We performed the noncollinear first-principles calculations to control the band gap of 1T monolayer MnCl2 using LDA+U. It was shown that the increase of the band gap is proportional to the increase of the effective Coulomb energy U, as long as the magnetic moments of the atoms do not reduce. The reduction of the magnetic moment leads to the so-called low spin state, in which the magnetic moment is almost half of the magnetic moment of the high spin state. It seems that the monolayer MnCl2 can be a promising candidate for the spintronics applications.

Details

Title
Controlling band gap of monolayer MnCl2 with LDA+U
Author
Prayitno, T B 1 ; Fahdiran, R 1 

 Department of Physics, Faculty of Mathematics and Natural Science, Universitas Negeri Jakarta, Kampus A Jl. Rawamangun Muka, Jakarta Timur 13220, Indonesia 
Publication year
2019
Publication date
Dec 2019
Publisher
IOP Publishing
ISSN
17426588
e-ISSN
17426596
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
2568294245
Copyright
© 2019. This work is published under http://creativecommons.org/licenses/by/3.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.