Fermi Surface Studies of Co-Based Heusler Alloys: Ab-Initio Study

Ram, S and V, Kanchana (2013) Fermi Surface Studies of Co-Based Heusler Alloys: Ab-Initio Study. In: 57th DAE Solid State Physics Symposium 2012; Bombay, 3-7, December 2012, Mumbai; India.

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The electronic, Fermi surface (FS) and magnetic properties of ferromagnetic Heusler alloys Co2XY (X = Cr, Mn, Fe; Y=Al, Ga) have been investigated by means of first principles calculation. Out of these compounds, Co2CrAl is found to be perfectly half-metallic (HM) at ambient. Under pressure HM to nearly HM (NHM) transition is observed around 75 GPa for Co 2CrAl and NHM to HM transition is observed around 40 GPa and 18 GPa for Co2CrGa and Co2MnAl, respectively, while no transition is observed for other compounds under study and is also analyzed from the FS studies. The states at the Fermi level in the majority spin are strongly hybridized Co-d and X-d like states. The majority band FS topology change is observed under pressure for the compounds where we observe a transition, while the minority band FS remain unaltered under pressure for all compounds except in Co2FeGa, where we observed an electron sheet at X point instead of hole pocket at Γ point

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IITH Creators:
IITH CreatorsORCiD
Item Type: Conference or Workshop Item (Paper)
Additional Information: VK would like to acknowledge IIT Hyderabad for the seed grant support. SR would like to acknowledge IIT Hyderabad for the fellowship.
Uncontrolled Keywords: Magnetic properties and materials
Subjects: Materials Engineering > Materials engineering
Divisions: Department of Physics
Depositing User: Team Library
Date Deposited: 27 Nov 2014 10:04
Last Modified: 14 Aug 2017 09:21
URI: http://raiith.iith.ac.in/id/eprint/1017
Publisher URL: https://doi.org/10.1063/1.4791431
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