Magnetic Semiconductors Obtained by Replacing One of the Atoms of a Quaternary Heusler Alloy with a Lanthanide Element

Abstract

Magnetic semiconductors have wide application prospects because of their charge properties and high spin polarization. In this paper, vasp software is used to simulate and calculate more than 40 kinds of magnetic semiconductors, which are obtained by replacing one element of full Heusler alloy with lanthanides. The origin of these magnetic semiconductors is explained by the orbital hybrid theory, and the band structure and state density of MnCrGdSb are analyzed by taking MNCRGDSB as an example. The relationship between band gap and lattice constant of magnetic semiconductor IrVYSn (Y = Sm,Pm,Nd,Pr) is investigated. A large number of potential magnetic semiconductors were discovered, and the theoretical basis for the subsequent discovery and synthesis of magnetic semiconductors was provided.

Keywords: magnetic semiconductors, lanthanides, Heusler alloys