1 Shandong Key Laboratory of Medical Physics and Image Processing&Shandong Provincial Engineering and Technical Center of Light Manipulations, School of Physics and Electronics, Shandong Normal University, Jinan 250358, China; 2 Zao Zhuang University, Zao Zhuang 277160, China
Abstract Using the first-principles method, the spin-dependent transport properties of a novel platform molecule containing a freestanding molecular wire is investigated by simulating the spin-polarized scanning tunneling microscope experiment with Ni tip and Au substrate electrodes. Transport calculations show that the total current increases as the tip gradually approaches to the substrate, which is consistent with the conductance obtained from previous experiment. More interestingly, the spin polarization (SP) of current modulated by compression effect has the completely opposite trend to the total current. Transmission analyses reveal that the reduction of SP of current with compression process originates from the promotion of spin-down electron channel, which is controlled by deforming the molecule wire. In addition, the density of states shows that the SP of current is directly affected by the organic-ferromagnetic spinterface. The weak orbital hybridization between the Ni tip and propynyl of molecule results in high interfacial SP, whereas the breaking of the C C triple of propynyl in favor of the Ni-C-C bond induces the strong orbital hybridization and restrains the interfacial SP. This work proposes a new way to control and design the SP of current through organic-ferromagnetic spinterface using functional molecular platform.
(Magnetoelectronics; spintronics: devices exploiting spin polarized transport or integrated magnetic fields)
Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11974217 and 11874242) and the Natural Science Foundation of Shandong Province, China (Grant No. ZR2018MA037).
Zhi Yang(羊志), Feng Sun(孙峰), Deng-Hui Chen(陈登辉), Zi-Qun Wang(王子群), Chuan-Kui Wang(王传奎), Zong-Liang Li(李宗良), and Shuai Qiu(邱帅) Current spin polarization of a platform molecule with compression effect 2022 Chin. Phys. B 31 077202
[1] Naber W J M, Faez S and Wiel W G V 2007 J. Phys. D:Appl. Phys.40 R205 [2] Sanvito S 2011 Chem. Soc. Rev.40 3336 [3] Lv X R, Liang S H, Tao L L and Han X F 2014 Spin4 1440013 [4] Gu X R, Guo L D and Sun X N 2018 Chin. Phys. B27 107202 [5] Hirohata A, Yamada K, Nakatani Y, Prejbeanu I L, Diény B, Pirro P and Hillebrands B 2020 J. Magn. Magn. Mater.509 166711 [6] Rocha A R, Garcia-Suarez V M, Bailey S W, Lambert C J, Ferrer J and Sanvito S 2005 Nat. Mater.4 335 [7] Sun D, Ehrenfreund E and Valy Z V 2014 Chem. Commun.50 1781 [8] Sanvito S 2010 Nat. Phys.6 562 [9] Barraud C, Seneor P, Mattana R, Fusil S, Bouzehouane K, Deranlot C, Graziosi P, Hueso L, Bergenti I, Dediu V, Petroff F and Fert A 2010 Nat. Phys.6 615 [10] Sun M and Mi W 2018 J. Mater. Chem. C6 6619 [11] Cinchetti M, Dediu V A and Hueso L E 2017 Nat. Mater.16 507 [12] Delprat S, Galbiati M, Tatay S, Quinard B, Barraud C, Petroff F, Seneor P and Mattana R 2018 J. Phys. D:Appl. Phys.51 473001 [13] Galbiati M, Tatay S, Barraud C, Dediu A V, Petroff F, Mattana R and Seneor P 2014 MRS Bull.39 602 [14] Guo L, Gu X, Zhu X and Sun X 2019 Adv. Mater.31 1805355 [15] Raman K V, Kamerbeek A M, Mukherjee A, Atodiresei N, Sen T K, Lazic P, Caciuc V, Michel R, Stalke D, Mandal S K, Blügel S, Münzenberg M and Moodera J S 2013 Nature493 509 [16] Li D and Smogunov A 2021 Phys. Rev. B103 085432 [17] Qiu S, Miao Y Y, Zhang G P, Ren J F, Wang C K and Hu G C 2020 J. Phys. Chem. C124 12144 [18] Qiu S, Miao Y Y, Zhang G P, Ren J F, Wang C K and Hu G C 2020 J. Mater. Sci.55 16311 [19] Qiu S, Miao Y Y, Zhang G P, Ren J F, Wang C K and Hu G C 2019 J. Magn. Magn. Mater.479 247 [20] Li S, Wang Y D, Wang Y F, Sanvito S and Hou S M 2021 J. Phys. Chem. C125 6945 [21] Li D, Banerjee R, Mondal S, Maliyov I, Romanova M, Dappe Y J and Smogunov A 2019 Phys. Rev. B99 115403 [22] Niu L L, Fu H Y, Suo Y Q, Liu R, Sun F, Wang S S, Zhang G P, Wang C K and Li Z L 2021 Physica E128 114542 [23] Koley S and Chakrabarti S 2017 J. Phys. Chem. C121 21695 [24] Deng Y X, Chen S Z, Zeng Y, Zhou W X and Chen K Q 2017 Org. Electron.50 184 [25] Cardona-Serra S, Gaita-Ariño A, Stamenova M and Sanvito S 2017 J. Phys. Chem. Lett.8 3056 [26] Dhungana K B and Pati R 2014 Appl. Phys. Lett.104 162404 [27] Zhao W K, Zou D Q, Yang C L and Sun Z P 2017 J. Mater. Chem. C5 8862 [28] Wang Z Q, Tang F, Dong M M, Wang M L, Hu G C, Leng J C, Wang C K and Zhang G P 2020 Chin. Phys. B29 067202 [29] Jasper-Tönnies T, Garcia-Lekue A, Frederiksen T, Ulrich S, Herges R and Berndt R 2017 Phys. Rev. Lett.119 066801 [30] Wei Z M, Wang X T, Borges A, Santella M, Li T, Sorensen J K, Vanin M, Hu W P, Liu Y Q, Ulstrup J, Solomon G C, Chi Q J, Bjornholm T, Norgaard K and Laursen B W 2014 Langmuir30 14868 [31] Jasper-Tönnies T, Garcia-Lekue A, Frederiksen T, Ulrich S, Herges R and Berndt R 2019 J. Phys.:Condens. Matter31 18LT01 [32] Jasper-Tönnies T, Weismann A, Frederiksen T, Garcia-Lekue A, Ulrich S, Herges R and Berndt R 2019 Phys. Rev. B99 245417 [33] Jasper-Tönnies T, Poltavsky I, Ulrich S, Moje T, Tkatchenko A, Herges R and Berndt R 2018 J. Chem. Phys.149 244705 [34] Brandbyge M, Mozos J L, Ordejón P, Taylor J and Stokbro K 2002 Phys. Rev. B65 165401 [35] José M S, Emilio A, Julian D G, Alberto G, Javier J, Pablo O and Daniel S P 2002 J. Phys.:Condens. Matter14 2745 [36] Atomistix ToolKit version 2018.06, Synopsys QuantumWise A/S (www.quantumwise.com) [37] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett.77 3865 [38] Troullier N and Martins J 1990 Solid State Commun.74 613 [39] Liu R, Bi J J, Xie Z, Yin K, Wang D, Zhang G P, Xiang D, Wang C K and Li Z L 2018 Phys. Rev. Appl.9 54023 [40] Li Z L, Bi J J, Liu R, Yi X H, Fu H Y, Sun F, Wei M Z and Wang C K 2017 Chin. Phys. B26 098508 [41] Landauer R 1970 Philos. Mag.21 863 [42] Larade B, Taylor J, Zheng Q R, Mehrez H, Pomorski P and Guo H 2001 Phys. Rev. B64 195402
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