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

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.

doi:10.1063/1.4945600

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:

Lukashev, P. ^[1]; Kharel, P. ^[2]; Gilbert, S. ^[3];

^[1]; Hurley, N. ^[1];

^[3]; Huh, Y. ^[3]; Valloppilly, S. ^[4]; Zhang, W. ^[5]; Yang, K. ^[6]; Skomski, R. ^[5]; Sellmyer, D. J. ^[5]

Univ. of Northern Iowa, Cedar Falls, IA (United States). Dept. of Physics
Univ. of Nebraska, Lincoln, NE (United States). Nebraska Center for Materials and Nanoscience; South Dakota State Univ., Brookings, SD (United States). Dept. of Physics
South Dakota State Univ., Brookings, SD (United States). Dept. of Physics
Univ. of Nebraska, Lincoln, NE (United States). Nebraska Center for Materials and Nanoscience
Univ. of Nebraska, Lincoln, NE (United States). Nebraska Center for Materials and Nanoscience and Dept. of Physics and Astronomy
South Dakota State Univ., Brookings, SD (United States). Dept. of Physics; Hohai Univ., Jiangsu (China). College of Mechanical and Electrical Engineering

Publication Date:: Mon Apr 04 00:00:00 EDT 2016

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.

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                    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.  https://doi.org/10.1063/1.4945600

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                    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.  https://doi.org/10.1063/1.4945600.  https://www.osti.gov/servlets/purl/1469706.

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@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         = {Mon Apr 04 00:00:00 EDT 2016},

  month        = {Mon Apr 04 00:00:00 EDT 2016}

}

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Recent advances in Dirac spin-gapless semiconductors
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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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Wang, Pan; Xia, Jian-Bai; Wei, Zhongming
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Title: Investigation of spin-gapless semiconductivity and half-metallicity in Ti2MnAl-based compounds

Abstract

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

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

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

Generalized Gradient Approximation Made Simple
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Proposal for a New Class of Materials: Spin Gapless Semiconductors
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Slater-Pauling behavior in LiMgPdSn-type multifunctional quaternary Heusler materials: Half-metallicity, spin-gapless and magnetic semiconductors
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