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Uniaxial pressure induced compensated half metal in Cr‐substituted iron(II) fluoride
Author(s) -
Wang Jing,
Zhai Lijing,
Gao Yuan,
Li Zhiping,
Xu Yuanhui,
Hao Xianfeng,
Gao Faming
Publication year - 2017
Publication title -
physica status solidi (rrl) – rapid research letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.786
H-Index - 68
eISSN - 1862-6270
pISSN - 1862-6254
DOI - 10.1002/pssr.201700052
Subject(s) - antiferromagnetism , orthorhombic crystal system , metal , spins , antiparallel (mathematics) , materials science , condensed matter physics , crystallography , magnetic field , chemistry , crystal structure , metallurgy , physics , quantum mechanics
To design a compensated half metal (CHM), the substitution of Fe by Cr in the insulating antiferromagnetic FeF 2 compound is simulated by using first‐principles calculations. The resultant compound Fe 0.5 Cr 0.5 F 2 crystallizes in orthorhombic Cmmm (No. 65) symmetry − and the AFM state (with antiparallel spins of Cr 2+ and Fe 2+ ) is favored. However, to realize half metallic character, uniaxial pressure (2.02 GPa along z axis) is critical. The magnetic ordering temperature calculated from mean field theory indicates that the obtained CHM could be utilized at room temperature.