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

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 Ti 2MnAl 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.
Authors:
 [1] ;  [2] ;  [3] ; ORCiD logo [1] ;  [1] ; ORCiD logo [3] ;  [3] ;  [4] ;  [5] ;  [6] ;  [5] ;  [5]
  1. Department of Physics, University of Northern Iowa, Cedar Falls, Iowa 50614, USA
  2. Department of Physics, South Dakota State University, Brookings, South Dakota 57007, USA; Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, Nebraska 68588, USA
  3. Department of Physics, South Dakota State University, Brookings, South Dakota 57007, USA
  4. Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, Nebraska 68588, USA
  5. Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, Nebraska 68588, USA; Department of Physics and Astronomy, University of Nebraska, Lincoln, Nebraska 68588, USA
  6. Department of Physics, South Dakota State University, Brookings, South Dakota 57007, USA; College of Mechanical and Electrical Engineering, Hohai University, Changzhou, Jiangsu 213022, China
Publication Date:
Grant/Contract Number:
FG02-04ER46152; NNCI: 1542182
Type:
Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 108; Journal Issue: 14; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)
Research Org:
Univ. of Nebraska, Lincoln, NE (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 74 ATOMIC AND MOLECULAR PHYSICS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1469706
Alternate Identifier(s):
OSTI ID: 1245497; OSTI ID: 1469703