The total energies of a series of frozen collinear magnon configurations are calculated for FeRh alloy by the first-principles all-electron linearized augmented planewave method. Effective exchange integrals are obtained by fitting the total energy to an Heisenberg model. Monte Carlo simulation is used to investigate the magnetic phase transition. The obtained phase transition characters are in reasonable agreement with the experiments. (C) 2001 Elsevier Science B.V. All rights reserved.
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Tongji Univ, Sch Mat Sci & Engn, Shanghai Key Lab D&A Metal Funct Mat, Shanghai 200092, Peoples R ChinaTongji Univ, Sch Mat Sci & Engn, Shanghai Key Lab D&A Metal Funct Mat, Shanghai 200092, Peoples R China
Lu, Wei
Wang, Yuxin
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Tongji Univ, Sch Mat Sci & Engn, Shanghai Key Lab D&A Metal Funct Mat, Shanghai 200092, Peoples R ChinaTongji Univ, Sch Mat Sci & Engn, Shanghai Key Lab D&A Metal Funct Mat, Shanghai 200092, Peoples R China
Wang, Yuxin
Yan, Biao
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Tongji Univ, Sch Mat Sci & Engn, Shanghai Key Lab D&A Metal Funct Mat, Shanghai 200092, Peoples R ChinaTongji Univ, Sch Mat Sci & Engn, Shanghai Key Lab D&A Metal Funct Mat, Shanghai 200092, Peoples R China
Yan, Biao
Suzuki, Takao
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Toyota Technol Inst, Informat Storage Mat Lab, Aichi 4688511, JapanTongji Univ, Sch Mat Sci & Engn, Shanghai Key Lab D&A Metal Funct Mat, Shanghai 200092, Peoples R China