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Title: Origin of spin gapless semiconductor behavior in CoFeCrGa: Theory and Experiment

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics
 [1];  [1];  [2];  [3];  [4];  [5];  [1];  [1]
  1. Indian Inst. of Technology (IIT), Mumbai (India)
  2. Defence Metallurgical Research Lab., Hyderabad (India)
  3. Universidade Estadual de Campinas-UNICAMP, Sao Paulo (Brazil)
  4. DCMPMS, Mumbai (India)
  5. Ames Lab. and Iowa State Univ., Ames, IA (United States)

Despite a plethora of materials suggested for spintronic applications, a new class of materials has emerged, namely spin gapless semiconductors (SGS), which offers potentially more advantageous properties than existing ones. These magnetic semiconductors exhibit a finite band gap for one spin channel and a closed gap for the other. Supported by electronic-structure calculations, we report evidence of SGS behavior in equiatomic quaternary CoFeCrGa, having a cubic Heusler (prototype LiMgPdSn) structure but exhibiting chemical disorder (DO3 structure). CoFeCrGa is found to transform from SGS to half-metallic phase under pressure, which is attributed to unique electronic-structure features. The saturation magnetization (MS) was obtained at 8K agrees with the Slater-Pauling rule and the Curie temperature (TC) is found to exceed 400K. Carrier concentration (up to 250K) and electrical conductivity are observed to be nearly temperature independent, prerequisites for SGS. The anomalous Hall coefficient is estimated to be 185S/cm at 5K. Considering the SGS properties and high TC, this material appears to be promising for spintronic applications.

Research Organization:
Ames Lab., Ames, IA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC02-07CH11358
OSTI ID:
1227394
Alternate ID(s):
OSTI ID: 1198625
Report Number(s):
IS-J 8743; PRBMDO
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, Vol. 92, Issue 4; ISSN 1098-0121
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 112 works
Citation information provided by
Web of Science

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Cited By (17)

Half‐Metallicity in Quaternary Heusler Alloys with 3 d and 4 d Elements: Observations and Insights from DFT Calculations journal March 2019
Equiatomic quaternary Heusler alloys: A material perspective for spintronic applications journal September 2016
Recent advances in Dirac spin-gapless semiconductors journal December 2018
The low-temperature transport properties of Heusler alloy Mn 2 CoAl journal September 2018
Systematic understanding of half-metallicity of ternary compounds in Heusler and Inverse Heusler structures with 3 d and 4 d elements journal September 2019
First principles understanding of structural electronic and magnetic properties of new quaternary Heusler alloy: FeVRuSi journal May 2018
First-principles design of spintronics materials journal April 2016
High-throughput screening for spin-gapless semiconductors in quaternary Heusler compounds journal February 2019
Rare earth-based quaternary Heusler compounds M CoV Z ( M = Lu, Y; Z = Si, Ge) with tunable band characteristics for potential spintronic applications journal October 2017
Spin Gapless Semiconductor–Nonmagnetic Semiconductor Transitions in Fe-Doped Ti2CoSi: First-Principle Calculations journal November 2018
Theoretical Study of the Electronic and Magnetic Properties and Phase Stability of the Full Heusler Compound Pd2CoAl journal August 2019
Theoretical Study of the Electronic, Magnetic, Mechanical and Thermodynamic Properties of the Spin Gapless Semiconductor CoFeMnSi journal December 2019
L21 and XA Ordering Competition in Hafnium-Based Full-Heusler Alloys Hf2VZ (Z = Al, Ga, In, Tl, Si, Ge, Sn, Pb) journal October 2017
Equiatomic quaternary Heusler alloys: a material perspective for spintronic applications text January 2016
High throughput screening for spin-gapless semiconductors in quaternary Heusler compounds text January 2018
Systematic understanding of half-metallicity of ternary compounds in Heusler and Inverse Heusler structures with 3$d$ and 4$d$ elements text January 2018
Half-metallicity in quaternary Heusler alloys with 3$d$ and 4$d$ elements: observations and insights from DFT calculations text January 2018

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