Half-metallicity of the bulk and (001) surface of NbFeCrAl and NbFeVGe Heusler compounds: a first-principles prediction-Reference-Cited by-同舟云学术

Half-metallicity of the bulk and (001) surface of NbFeCrAl and NbFeVGe Heusler compounds: a first-principles prediction

Published:2017 Issue:50 Volume:7 Page:31707-31713
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Li Y.¹²³⁴⁵^ORCID,Liu G. D.¹²³⁴^ORCID,Wang X. T.¹²³⁴,Liu E. K.⁵⁶⁷⁸⁹,Xi X. K.⁵⁶⁷⁸⁹,Wang W. H.⁵⁶⁷⁸⁹,Wu G. H.⁵⁶⁷⁸⁹,Dai X. F.¹²³⁴

Affiliation:

1. School of Material Science and Engineering

2. Hebei University of Technology

3. Tianjin 300130

4. China

5. State Key Laboratory for Magnetism

6. Beijing National Laboratory for Condensed Matter Physics

7. Institute of Physics

8. Chinese Academy of Sciences

9. Beijing 100190

Abstract

Using first-principles calculations based on density-functional theory, the structural, electronic and magnetic properties in the bulk and (001) surfaces of quaternary Heusler compounds NbFeCrAl and NbFeVGe are investigated.

Funder

Natural Science Foundation of Hebei Province

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/RA/C7RA05509A

Reference66 articles.

1. New Class of Materials: Half-Metallic Ferromagnets

2. Magnetism in the new full-Heusler compound, Zr2CoAl: A first-principles study

3. Physical and electronic structure and magnetism ofMn2NiGa: Experiment and density-functional theory calculations

4. Large half-metallic gaps in the quaternary Heusler alloys CoFeCrZ (Z=Al, Si, Ga, Ge): A first-principles study

5. A first-principle study of half-metallic ferrimagnetism in the Ti2CoGa Heusler compound

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