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

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.

Authors:
 [1];  [2];  [3]; ORCiD logo [1];  [1]; ORCiD logo [3];  [3];  [4];  [5];  [6];  [5];  [5]
  1. Univ. of Northern Iowa, Cedar Falls, IA (United States). Dept. of Physics
  2. Univ. of Nebraska, Lincoln, NE (United States). Nebraska Center for Materials and Nanoscience; South Dakota State Univ., Brookings, SD (United States). Dept. of Physics
  3. South Dakota State Univ., Brookings, SD (United States). Dept. of Physics
  4. Univ. of Nebraska, Lincoln, NE (United States). Nebraska Center for Materials and Nanoscience
  5. Univ. of Nebraska, Lincoln, NE (United States). Nebraska Center for Materials and Nanoscience and Dept. of Physics and Astronomy
  6. South Dakota State Univ., Brookings, SD (United States). Dept. of Physics; Hohai Univ., Jiangsu (China). College of Mechanical and Electrical Engineering
Publication Date:
Research Org.:
Univ. of Nebraska, Lincoln, NE (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
OSTI Identifier:
1469706
Alternate Identifier(s):
OSTI ID: 1245497; OSTI ID: 1469703
Grant/Contract Number:  
FG02-04ER46152; NNCI: 1542182
Resource 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)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 74 ATOMIC AND MOLECULAR PHYSICS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Lukashev, P., Kharel, P., Gilbert, S., Staten, B., Hurley, N., Fuglsby, R., Huh, Y., Valloppilly, S., Zhang, W., Yang, K., Skomski, R., and Sellmyer, D. J. Investigation of spin-gapless semiconductivity and half-metallicity in Ti2MnAl-based compounds. United States: N. p., 2016. Web. doi:10.1063/1.4945600.
Lukashev, P., Kharel, P., Gilbert, S., Staten, B., Hurley, N., Fuglsby, R., Huh, Y., Valloppilly, S., Zhang, W., Yang, K., Skomski, R., & Sellmyer, D. J. Investigation of spin-gapless semiconductivity and half-metallicity in Ti2MnAl-based compounds. United States. doi:10.1063/1.4945600.
Lukashev, P., Kharel, P., Gilbert, S., Staten, B., Hurley, N., Fuglsby, R., Huh, Y., Valloppilly, S., Zhang, W., Yang, K., Skomski, R., and Sellmyer, D. J. Mon . "Investigation of spin-gapless semiconductivity and half-metallicity in Ti2MnAl-based compounds". United States. doi:10.1063/1.4945600. https://www.osti.gov/servlets/purl/1469706.
@article{osti_1469706,
title = {Investigation of spin-gapless semiconductivity and half-metallicity in Ti2MnAl-based compounds},
author = {Lukashev, P. and Kharel, P. and Gilbert, S. and Staten, B. and Hurley, N. and Fuglsby, R. and Huh, Y. and Valloppilly, S. and Zhang, W. and Yang, K. and Skomski, R. and Sellmyer, D. J.},
abstractNote = {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.},
doi = {10.1063/1.4945600},
journal = {Applied Physics Letters},
number = 14,
volume = 108,
place = {United States},
year = {2016},
month = {4}
}

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Cited by: 13 works
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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Proposal for a New Class of Materials: Spin Gapless Semiconductors
journal, April 2008


Slater-Pauling behavior in LiMgPdSn-type multifunctional quaternary Heusler materials: Half-metallicity, spin-gapless and magnetic semiconductors
journal, May 2013

  • Özdoğan, K.; Şaşıoğlu, E.; Galanakis, I.
  • Journal of Applied Physics, Vol. 113, Issue 19
  • DOI: 10.1063/1.4805063

Magnetic and transport properties of Mn 2 CoAl oriented films
journal, September 2013

  • Jamer, Michelle E.; Assaf, Badih A.; Devakul, Trithep
  • Applied Physics Letters, Vol. 103, Issue 14
  • DOI: 10.1063/1.4823601

Projector augmented-wave method
journal, December 1994


Antiferromagnetic half-metals, gapless half-metals, and spin gapless semiconductors: The D0 3 -type Heusler alloys
journal, December 2013

  • Gao, G. Y.; Yao, Kai-Lun
  • Applied Physics Letters, Vol. 103, Issue 23
  • DOI: 10.1063/1.4840318

A window on the future of spintronics
journal, November 2010


Magnetism, electron transport and effect of disorder in CoFeCrAl
journal, May 2015


Enhancement of Curie temperature in Mn2RuSn by Co substitution
journal, April 2015

  • Nelson, A.; Kharel, P.; Huh, Y.
  • Journal of Applied Physics, Vol. 117, Issue 15
  • DOI: 10.1063/1.4918664

The electronic properties of graphene
journal, January 2009

  • Castro Neto, A. H.; Guinea, F.; Peres, N. M. R.
  • Reviews of Modern Physics, Vol. 81, Issue 1, p. 109-162
  • DOI: 10.1103/RevModPhys.81.109

High-precision sampling for Brillouin-zone integration in metals
journal, August 1989


Magnetic properties and half-metallic in bulk and (001) surface of Ti2MnAl Heusler alloy with Hg2CuTi-type structure
journal, May 2014


Ferromagnetism and spin-polarized charge carriers in In 2 O 3 thin films
journal, April 2009


Search for spin gapless semiconductors: The case of inverse Heusler compounds
journal, January 2013

  • Skaftouros, S.; Özdoğan, K.; Şaşıoğlu, E.
  • Applied Physics Letters, Vol. 102, Issue 2
  • DOI: 10.1063/1.4775599

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Ti 2 Mn Z ( Z =Al, Ga, In) compounds: Nearly spin gapless semiconductors
journal, April 2014

  • Jia, H. Y.; Dai, X. F.; Wang, L. Y.
  • AIP Advances, Vol. 4, Issue 4
  • DOI: 10.1063/1.4871403

Realization of Spin Gapless Semiconductors: The Heusler Compound Mn 2 CoAl
journal, March 2013


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    journal, October 2016

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    • DOI: 10.1063/1.4964464

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    • Applied Physics Reviews, Vol. 5, Issue 4
    • DOI: 10.1063/1.5042604

    Structure and magnetism of NiFeMnGa x Sn 1-x (x = 0, 0.25, 0.5, 0.75, 1.00) Heusler compounds
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    • DOI: 10.1063/1.5068680

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    journal, January 2020

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    • AIP Advances, Vol. 10, Issue 1
    • DOI: 10.1063/1.5127671

    Effect of partial substitution of In with Mn on the structural, magnetic, and magnetocaloric properties of Ni 2 Mn 1+ x In 1− x Heusler alloys
    journal, August 2019

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    • Journal of Physics D: Applied Physics, Vol. 52, Issue 42
    • DOI: 10.1088/1361-6463/ab335a

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    • Journal of Physics D: Applied Physics, Vol. 52, Issue 50
    • DOI: 10.1088/1361-6463/ab4475

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    journal, December 2018

    • Prophet, Sam; Dalal, Rishabh; Kharel, Parashu R.
    • Journal of Physics: Condensed Matter, Vol. 31, Issue 5
    • DOI: 10.1088/1361-648x/aaf343

    Half-metallicity in CrAl-terminated Co 2 CrAl thin film
    journal, September 2019

    • Herran, Juliana; Carlile, Ryan; Kharel, Parashu
    • Journal of Physics: Condensed Matter, Vol. 31, Issue 49
    • DOI: 10.1088/1361-648x/ab3d6c

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    journal, September 2019

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    • Royal Society Open Science, Vol. 6, Issue 9
    • DOI: 10.1098/rsos.191007

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    journal, January 2019


    Theoretical Study of the Electronic, Magnetic, Mechanical and Thermodynamic Properties of the Spin Gapless Semiconductor CoFeMnSi
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    Strain Conditions for the Inverse Heusler Type Fully Compensated Spin-Gapless Semiconductor Ti2MnAl: A First-Principles Study
    journal, October 2018

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    • Materials, Vol. 11, Issue 11
    • DOI: 10.3390/ma11112091

    Giant magnetoresistance ratio in a current-perpendicular-to-plane spin valve based on an inverse Heusler alloy Ti 2 NiAl
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