Electronic structures, magnetism, and half-metallicities of full-Heusler Fe2-xCoxCrAl (X=0, 1, 2) alloys

Title
Electronic structures, magnetism, and half-metallicities of full-Heusler Fe2-xCoxCrAl (X=0, 1, 2) alloys
Authors
Jin, Y.J; Lee, J.I.
Keywords
electronic structure, Heusler alloy, magnetism
Issue Date
2005-10
Publisher
IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
Abstract
We have investigated the electronic structures, magnetism, and half-metallicities of full-Heusler Fe2-xCoxCrAl (x = 0, 1, 2) alloys by using the all-electron full-potential linearized augmented plane-wave method within the generalized gradient approximation. From the calculated total energies for the three types of FeCoCrAl systems, it is found that the FeCoCrAl-III system is energetically most favorable. It is found, from the calculated density of states, that the Fe2CrAl and Co-2 CrAl alloys clearly show half-metallic character. We also found that the FeCoCrAl-III is half-metallic while the other two systems are nearly half-metallic from the minority density of states at the Fermi level. The calculated magnetic moments of FeCoCrAl-III for Fe, Co, and Cr atoms are 0.95, 1.07, and 1.93 mu(B), respectively, larger than those of the other two systems.
URI
http://dspace.inha.ac.kr/handle/10505/1646
ISSN
0018-9464
Appears in Collections:
College of Natural Science(자연과학대학) > Physics (물리학) > Journal Papers, Peports(물리학 학술논문, 보고서)
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