Investigation of spin-gapless semiconductivity and half-metallicity in Ti₂MnAl-based compounds

Authors

Pavel V. Lukashev, University of Nothern IowaFollow
Parashu Kharel, South Dakota State University, University of Nebraska-LincolnFollow
S. Gilbert, South Dakota State University, Brookings
B Staten, University of Nothern Iowa
N. Hurley, University of Northern Iowa
R Fuglsby, South Dakota State University
Yung Huh, South Dakota State UniversityFollow
Shah R. Valloppilly, University of Nebraska-LincolnFollow
Wenliang Zhang, University of Nebraska, LincolnFollow
K. Yang, South Dakota State University
Ralph A. Skomski, University of Nebraska-LincolnFollow
David J. Sellmyer, University of Nebraska-LincolnFollow

Date of this Version

2016

Citation

APPLIED PHYSICS LETTERS 108, 141901 (2016)

http://dx.doi.org/10.1063/1.4945600

Comments

Copyright 2016 AIP Publishing LLC

Abstract

The increasing interest in spin-based electronics has led to a vigorous search for new materials that can provide a high degree of spin polarization in electron transport. An ideal candidate would act as an insulator for one spin channel and a conductor or semiconductor for the opposite spin channel, corresponding to the respective cases of half-metallicity and spin-gapless semiconductivity. Our first-principle electronic-structure calculations indicate that the metallic Heusler compound Ti₂MnAl becomes half-metallic and spin-gapless semiconducting if half of the Al atoms are replaced by Sn and In, respectively. These electronic structures are associated with structural transitions from the regular cubic Heusler structure to the inverted cubic Heusler structure.