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.
ZHANG Zhen
,
HUANG Qiang
,
SHENG Xianlei
,
ZHENG Qingrong
. First-principle quantum transport simulations of a fully spin-polarized device TiCl3/RhCl3/TiCl3[J]. Journal of University of Chinese Academy of Sciences, 2020
, 37(4)
: 458
-464
.
DOI: 10.7523/j.issn.2095-6134.2020.04.004
[1] Baibich M N, Broto J M, Fert A, et al. Giant magnetoresistance of (001)Fel(001) Cr magnetic snperlattices[J]. Physical Review Letters, 1988, 61:2472-2475.
[2] Binasch G, Griinberg P, Saurenbach F, et al. Enhanced magnetoresistance in layered magnetic structures with antiferromagnetic interlayer exchange[J]. Physical Review B, 1989, 39:4828-4830.
[3] Ikeda S, Hayakawa J, Ashizawa Y, et al. Tunnel magnetoresistance of 604% at 300 K by suppression of Ta diffusion in CoFeB-MgO-CoFeB pseudo-spin-valves annealed at high temperature[J]. Applied Physics Letters, 2008, 93:082508.
[4] Miyazaki T, Tezuka N. Giant magnetic tunneling effect in Fe/Al2O3/Fe junction[J]. Journal of Magnetism and Magnetic Materials, 1995, 139:L231-L234.
[5] Wen Z C, Sukegawa H, Mitnai S, et al. Tunnel magnetoresistance in textured Co2FeAl/MgO/CoFe magnetic tunnel junctions on a Si/SiO2 amorphous substrate[J]. Applized Physics Letters, 2011, 98:192505.
[6] Wulfhekel W, Klaua M, Ullmann D, et al. Single-crystal magneto tunnel junctions[J]. Applized Physics Letters, 2001, 78:509-511.
[7] Moodera J S, Kinder L R, Wong T M, et al. Large magnetoresistance at room temperature in ferromagnetic thin film tunnel junctions[J]. Physical Review Letters, 1995, 74:3273-3276.
[8] Currivan-Incorvia J A, Siddiqui S, Dutta S, et al. Logic circuit prototypes for three-terminal magnetictunnel junctions with mobile domain walls[J]. Nature Communications, 2016, 7:10275.
[9] Wolf S A, Awschalom D D, Buhrman R A, et al. Spintronics:a spin-based electronics vision for the future[J]. Science, 2001, 294:1488-1495.
[10] Novoselov J S, Geim A K, Morozov S V, et al. Electric field effect in atomically thin carbon films[J]. Science, 2004, 306:666-669.
[11] Li L K, Yu Y J, Ye G J, et al. Black phosphorus field-effect transistors[J]. Nature Nanotechnology, 2014, 9:372-377.
[12] Hong T, Chamlagain B, Lin W, et al. Polarized photocurrent response in black phosphorus field-effect transistors[J]. Nanoscale, 2014, 6:8978-8983.
[13] Mak K F, Lee C G, Home J, et al. Atomically thin MoS2:a new direct-gap semiconductor[J]. Physical Review Letters, 2010, 105:136805.
[14] Wang Q H, Kalantar-Zadeh K, Kis A, et al. Electronics and optoelectronics of two-dimensional transition metal diachalcogenides[J]. Nature Nanotechnology, 2012, 7:699-712.
[15] Leong W S, Li Y, Luo C, et al. Tuning the threshold voltage of MoS2 field-effect transistors via surface treatment[J]. Nanoscale, 2015, 7:10823-10831.
[16] Jiang L F, Zeng H B. Comment on "Strongly luminescent monolayered MoS2 prepared by effective ultrasound exfoliation"[J]. Nanoscale, 2015, 7:4580-4583.
[17] Sheng X L, K.Nikolic' B. Monolayer of the 5d transition metal trichloride OsCl3:a playground for two-dimensional magnetism, room-temperature quantum anomalous Hall effect, and topological phase transitions[J]. Physical Review B,2017,95:201402(R).
[18] Weber D, Schoop L M, Duppel V, et al. Magnetic properties of restacked 2D spin 1/2 honeycomb RuCl3 Nanosheets[J]. Nano Letters, 2016, 16:3578-3584.
[19] McGuire M A, Dixit H, Cooper V R, et al. Coupling of crystal structure and magnetism in the layered, ferromagnetic insulator CrI3[J]. Chemistry of Materials, 2015, 27:612-620.
[20] Huang B, Clark G, Navarro-Moratalla E, et al. Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit[J]. Nature, 2017, 546:270-273.
[21] Zhou Y G, Lu H F, Zu X T, et al. Evidencing the existence of exciting half-metallicity in two-dimensional TiCl3 and VCl3 sheets[J]. Scientific Reports, 2015, 6:19407.
[22] Zacharia R, Ulbricht H, Tobias H. Interlayer cohesive energy of graphite from thermal desorption of polyaromatic hydrocarbons[J]. Physical Review B, 2004, 69:155406.
[23] Kresse G, Furthmuller J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set[J]. Physical Review B, 1996, 54:11169-11186.
[24] Perdew J P, Burke K, Ernzerhof M. Generalized gradient approximation made simple[J]. Physical Review Letters, 1996, 77(18):3865-3868.
[25] Taylor J, Guo H, Wang J. Ab initio modeling of quantum transport properties of molecular electronic devices[J]. Physical Review B, 2001, 63:245407.
