First-principle quantum transport simulations of a fully spin-polarized device TiCl3/RhCl3/TiCl3

doi:10.7523/j.issn.2095-6134.2020.04.004

Abstract

Abstract: Based on the first-principle quantum transport simulation methods within the non-equilibrium Green function combined with density functional theory (NEGF+DFT), we predict that a magnetic tunnel junction (MTJ), consisting of a TiCl₃ semi-metal electrode and a RhCl₃ semiconducting scattering region, could be used as a spin-polarized transport device. We calculate the I-V curves in the ranges of small bias voltage (0-20 mV) and large bias voltage (0-0.6 V), respectively. In the range of small bias voltage, the current under parallel configuration (PC) is much larger than that under antiparallel configuration (APC). In addition, the tunneling magnetoresistance (TMR) always maintains a stable large value of 100%, and so does the spin injection efficiency (SIE) value under PC. In the range of large bias voltage, the TMR value decreases as the voltage increases, but the SIE value remains a stable value of 100%. The nonequilibrium transport properties are explained by analyzing the projected density of state.

Key words: tunneling magnetoresistance (TMR), spin filter, I-V curves, spin injection efficiency (SIE)

CLC Number:

TN304.7

ZHANG Zhen, HUANG Qiang, SHENG Xianlei, ZHENG Qingrong. First-principle quantum transport simulations of a fully spin-polarized device TiCl₃/RhCl₃/TiCl₃[J]. , 2020, 37(4): 458-464.

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First-principle quantum transport simulations of a fully spin-polarized device TiCl₃/RhCl₃/TiCl₃

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