【摘 要】
：
Motivated by the theoretical prediction of half-metallic ferromagnetism in zinc-blende CrS and the experimental fabrication of ferromagnetic zinc-blende Mn1-xCr
【机 构】
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SchoolofPhysicsandWuhanNationalHighMagneticFieldCenter,HuazhongUniversityofScienceandTechnology,Wuha
【出 处】
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第十八届全国凝聚态理论与统计物理学术会议
论文部分内容阅读
Motivated by the theoretical prediction of half-metallic ferromagnetism in zinc-blende CrS and the experimental fabrication of ferromagnetic zinc-blende Mn1-xCrxS films on ZnSe substrate, we investigate the magnetic ground state of bulk zinc-blende CrS, the structural, electronic and magnetic properties of the CrS (001) films, and the spin transport properties of the CrS/ZnSe(001) heterogeneous junction by using the method of density functional theory combined with nonequilibrium Greens function.We find that for bulk zinc-blende CrS the antiferromagnetic state is most stable, but the ferromagnetic state can be stabilized at the semiconductor ZnSe lattice constant, which is in agreement with available experimental and theoretical results.
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