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A novel class of one-dimensional Ta4TMTe4 (TM=Cr, Fe, Co and Ni) compounds with strain switched magnetic states

Abstract

The development of one-dimensional (1D) nanowire with controllable magnetic properties is highly important for spintronic applications. Herein, we systematically investigate the structural, electronic, and magnetic properties of 1D transition-metal (TM) compound (Ta4TMTe4, TM=Cr, Fe, Co and Ni) by using density functional theory (DFT) calculation. Among of them, both Ta4CrTe4 and Ta4FeTe4 are non-magnetism, while the Ta4CoTe4 and Ta4NiTe4 are predicted to be antiferromagnetic ground states. Interestingly, a uniaxial strain can induce a nonmagnetism-ferromagnetism and nonmagnetism-antiferromagnetism transition in Ta4CrTe4 and Ta4FeTe4 nanowire, respectively. Moreover, the antiferromagnetic ground states in Ta4CoTe4 and Ta4NiTe4 also can be switched to ferromagnetic states by moderate strain. Such strain-dependent magnetic moment and magnetic coupling transition is related to the redistribution of d states of TM atoms. Our findings suggest a new route to facilitate the design of nanoelectronics and spintronics.

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Publication details

The article was received on 15 Nov 2017, accepted on 07 Feb 2018 and first published on 08 Feb 2018


Article type: Paper
DOI: 10.1039/C7CP07691F
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    A novel class of one-dimensional Ta4TMTe4 (TM=Cr, Fe, Co and Ni) compounds with strain switched magnetic states

    D. Li, Y. Chen and J. He, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C7CP07691F

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