First - principles investigation of magnetism of the rare - earth hexaboride RB6 (R = La, Ce, Nd, Sm, Eu)

Authors

  • Chunfeng Department of Physics, School of Arts and Sciences, National University of Mongolia, Ulaanbaatar 14201, Mongolia
  • Tsogbadrakh N Department of Physics, School of Arts and Sciences, National University of Mongolia, Ulaanbaatar 14201, Mongolia
  • Lihong Bao Inner Mongolia Key Laboratory for Physics and Chemistry of Functional Materials, Inner Mongolia Normal University, Hohhot 010022, China
  • Tegus O Inner Mongolia Key Laboratory for Physics and Chemistry of Functional Materials, Inner Mongolia Normal University, Hohhot 010022, China
  • Tsookhuu Kh Department of Physics, School of Arts and Sciences, National University of Mongolia, Ulaanbaatar 14201, Mongolia

DOI:

https://doi.org/10.22353/physics.v25i478.225

Keywords:

(R = La, Ce, Nd, Sm and Eu), RB6 (R = Ce, Nd, Sm and Eu)

Abstract

Electronic and magnetic properties of the RB6 (R = La, Ce, Nd, Sm and Eu) crystals were investigated by using the first - principles method within the framework of the density functional theory. The ground state of lanthanum hexaboride (LaB6) is nonmagnetic crystal, while the others RB6 (R = Ce, Nd, Sm and Eu) are ferromagnetic crystal due to the partial occupations of electrons on 4f orbital for rare – earth atoms. We have done the prediction of lattice parameters, magnetic
moments of magnetic ions and total magnetizations of the RB6 crystals.
PACS numbers: 71.20.Eh, 75.50.-y

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Published

2022-02-25

How to Cite

Chunfeng, N, T., Lihong Bao, O, T., & Kh, T. (2022). First - principles investigation of magnetism of the rare - earth hexaboride RB6 (R = La, Ce, Nd, Sm, Eu). Scientific Transaction of the National University of Mongolia. Physics, 25(478), 159–162. https://doi.org/10.22353/physics.v25i478.225

Issue

Vol. 25 No. 478 (2017): Физик

Section

Research article

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Copyright (c) 2022 Физик сэтгүүл

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