A novel class of one-dimensional Ta4TMTe4 (TM = Cr, Fe, Co and Ni) compounds with strain-switched magnetic states. Issue 10 (21st February 2018)

• Record Type: Journal Article
• Authors: Li, Dengfeng; Chen, Ying; He, Junjie
• Is Part Of: Physical chemistry chemical physics. Volume 20:Issue 10(2018)
• Page Start: 6990
• Page End: 6995
• Publication Date: 2018-02-21
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c7cp07691f
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : A novel class of one-dimensional compounds with strains witched magnetic states for spintronic application is presented. Abstract : The development of one-dimensional (1D) nanowires with controllable magnetic properties is important for spintronic applications. Herein, we systematically investigated the structural, electronic, and magnetic properties of 1D transition-metal (TM) compounds (Ta4 TMTe4, TM = Cr, Fe, Co and Ni) through density functional theory (DFT) calculations. Ta4 CrTe4 and Ta4 FeTe4 are non-magnetic, while Ta4 CoTe4 and Ta4 NiTe4 are predicted to have antiferromagnetic ground states. Interestingly, uniaxial strain can induce nonmagnetism–ferromagnetism and nonmagnetism–antiferromagnetism transitions in Ta4 CrTe4 and Ta4 FeTe4 nanowires, respectively. Moreover, the antiferromagnetic ground states in Ta4 CoTe4 and Ta4 NiTe4 can be switched to ferromagnetic states through moderate strain. These strain-dependent magnetic moment and magnetic coupling transitions are related to the redistribution of d states in TM atoms. Our findings suggest a new route for facilitating the design of nanoelectronics and spintronics.