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author:

Lin, Daobin (Lin, Daobin.) [1] | Sa, Baisheng (Sa, Baisheng.) [2] (Scholars:萨百晟) | Zhou, Jian (Zhou, Jian.) [3] | Si, Chen (Si, Chen.) [4] | Sun, Zhimei (Sun, Zhimei.) [5]

Indexed by:

EI Scopus PKU CSCD

Abstract:

The electronic structure and magnetic properties of the M2CoA type Heusler alloys Mn2CoAl, Mn2CoSi, Ti2CoAl and Ti2CoSi were systematically investigated using first-principles calculations based on the density functional theory. The results show that Mn2CoAl is a ferrimagnetic spin gapless semiconductor; Mn2CoSi and Ti2CoAl are ferrimagnetic spin half-metals, while Ti2CoSi is a ferromagnetic spin half-metal. The total spin magnetic moments of the M2CoA type Heusler alloys are integers, obeying the Slater-Pauling rule. By analyzing the band structures and electronic density of states, the origin of spin gapless semiconductor as well as half-metal were revealed. The calculation results of phonon dispersion curves and elastic constants show that all the M2CoA type Heusler alloys are stable in the lattice dynamics and mechanics. © 2016, Beijing University of Aeronautics and Astronautics (BUAA). All right reserved.

Keyword:

Aluminum alloys Calculations Cobalt alloys Density functional theory Electronic density of states Electronic structure Ferrimagnetism Lattice constants Magnetic moments Manganese alloys Metals Semiconducting aluminum compounds Semiconducting manganese compounds Semiconducting silicon compounds Silicon alloys Ternary alloys Titanium alloys

Community:

  • [ 1 ] [Lin, Daobin]College of Materials, Xiamen University, Xiamen; 361005, China
  • [ 2 ] [Sa, Baisheng]School of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China
  • [ 3 ] [Zhou, Jian]School of Materials Science and Engineering, Beijing University of Aeronautics and Astronautics, Beijing; 100083, China
  • [ 4 ] [Si, Chen]School of Materials Science and Engineering, Beijing University of Aeronautics and Astronautics, Beijing; 100083, China
  • [ 5 ] [Sun, Zhimei]School of Materials Science and Engineering, Beijing University of Aeronautics and Astronautics, Beijing; 100083, China

Reprint 's Address:

  • [zhou, jian]school of materials science and engineering, beijing university of aeronautics and astronautics, beijing; 100083, china

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Source :

Journal of Beijing University of Aeronautics and Astronautics

ISSN: 1001-5965

CN: 11-2625/V

Year: 2016

Issue: 3

Volume: 42

Page: 602-609

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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