Spin-dependent transport properties of a Co-Salophene molecule between graphene nanoribbon electrodes

Chen Wei; Chen Run-Feng; Li Yong-Tao; Yu Zhi-Zhou; Xu Ning; Bian Bao-An; Li Xing-Ao; Wang Lian-Hui

doi:10.7498/aps.66.198503

Abstract

Molecular spintronics has attracted much attention because of many novel functionalities at the single molecule level over the past decades.Recently,much research has focused on organic molecules containing transition metals in the field of molecular spintronics,which possesses desired spin-dependent transport properties for spintronic device applications. In this paper,based on non-equilibrium Green's function formalism combined with the first-principles density functional theory,the spin-dependent transport properties of an organic Co-Salophen molecule sandwiched between two zigzag graphene nanoribbon (ZGNR) electrodes are investigated.By applying an external magnetic field,the spin directions of the left and right ZGNR electrodes may be switched to two different configurations:the parallel (P) and antiparallel (AP) spin configurations.It is found that for the P spin configuration,the spin-up current is significantly larger than the spin-down one which is nearly zero in a bias range from -1.0 V to 1.0 V,exhibiting a nearly perfect spin filtering effect (up to 100%).Moreover,the spin-up current shows negative differential resistance behavior at 0.3 V.For the AP spin configuration,the spin-down current is much larger than the spin-up one at the positive bias.On the contrary,the spinup current is much larger than the spin-down one at the positive bias.Therefore,the device exhibits bipolar spin filtering effect.It is also found that the spin-up current at the negative bias is much larger than that at the corresponding positive bias,while the spin-down current at the negative bias is much smaller than that at the corresponding positive bias,which shows the outstanding spin rectifying effect.Besides,a significant giant magnetoresistance effect is also obtained in the device when the spin directions of the left and right ZGNR electrodes switch between P and AP spin configurations. The spin transport properties of the device under P and AP spin configurations are attributed to the different orbital symmetries of spin subbands (* and ) of the electrodes and the spatial distribution of molecular orbitals within the bias window.By analyzing the spin-polarization transmission spectrum,the local density of states,the band structures and symmetries of the ZGNR electrodes and the projected self-consistent Hamiltonian states of molecular orbitals,the internal mechanism for multiple functional characteristics of the device is explained in detail.Our results indicate the Co-Salophen molecule can be a promising candidate for future applications in molecular spintronics device,and also provide a theoretical reference for designing the next-generation molecular nano-devices.

Keywords:

Authors and contacts

1.
School of Materials Science and Engineering, Nanjing University of Posts and Telecommunications, Nanjing 210023, China;
2.
Information Physics Research Center, School of Science, Nanjing University of Posts and Telecommunications, Nanjing 210023, China;
3.
School of Physics and Technology, Nanjing Normal University, Nanjing 210023, China;
4.
School of Mathematical and Physical Sciences, Yancheng Institute of Technology, Yancheng 224051, China;
5.
School of Science, Jiangnan University, Wuxi 214122, China}

Corresponding author: Li Xing-Ao, lixa@njupt.edu.cn;iamlhwang@njupt.edu.cn ; Wang Lian-Hui, lixa@njupt.edu.cn;iamlhwang@njupt.edu.cn

Funds: Project supported by the Program for Changjiang Scholars and Innovative Research Team in University of Ministry of Education of China (Grant No. IRT1148), the National Natural Science Foundation of China (Grant Nos. 51372119, 11404278), Jiangsu Overseas Research Training Program for University Prominent Young Middle-aged Teachers and Presidents, and by the Natural Science Foundation of NJUPT, China (Grant Nos. NY214130, NY214104).

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[43]	Fujita M, Wakabayashi K, Nakada K, Kusakabe K J 1996 Phys. Soc. Jpn. 5 1920
[44]	Bttiker M, Imry Y, Landauer R, Pinhas S 1985 Phys. Rev. B 31 6207
[45]	Zeng M G, Shen L, Zhang C, Feng Y P 2011 Appl. Phys. Lett. 98 053101
[46]	Li Z, Qian H, Wu J, Gu B, Duan W 2008 Phys. Rev. Lett. 100 206802
[47]	Wang Z F, Li Q X, Shi Q W, Wang X P 2008 Appl. Phys. Lett. 92 133114
[48]	Stokbro K, Taylor J, Brandbyge M, Mozos J L, Ordejon P 2003 Comput. Mater. Sci. 27 151
[49]	Brown E R, Sderstrm J R, Parker C D, Mahoney L J, Molvar K M, McGill T C 1991 Appl. Phys. Lett. 58 2291
[50]	Broekaert T P E, Brar B, van der Wagt J P A, Seabaugh A C, Morris F J, Moise T S, Beam E A, Frazier G A 1998 IEEE J. Solid-St. Circ. 33 1342
[51]	Mathews R H, Sage J P, Sollner T G, Calawa S D, Chen C L, Mahoney L J, Maki P A, Molvar K M 1999 Proc. IEEE 87 596

Cited By

[1]	Rocha A R, Garcia-Suarez V M, Bailey S W, Lambert C J, Ferrer J, Sanvito S 2005 Nature Mater. 4 335
[2]	Bogani L, Wernsdorfer W 2008 Nature Mater. 7 179
[3]	Simpson G J, Hogan S W, Caffio M, Adams C J, Fruchtl H, van Mourik T, Schaub R 2014 Nano Lett. 14 634
[4]	Cui A, Dong H, Hu W 2015 Small 11 6115
[5]	Perrin M L, Frisenda R, Koole M, Seldenthuis J S, Gil J A C, Valkenier H, Hummelen J C, Renaud N, Grozema F C, Thijssen J M, Dulić D, van der Zant H S 2014 Nature Nanotech. 9 830
[6]	Fan Z Q, Zhang Z H, Xie F, Deng X Q, Tang G P, Yang C H, Chen K Q 2015 Org. Electron. 18 101
[7]	Staykov A, Watanabe M, Ishihara T, Yoshizawa K 2014 J. Phys. Chem. C 118 27539
[8]	Cui L L, Yang B C, Li X M, Cao C, Long M Q 2014 J. Appl. Phys. 116 033701
[9]	Malenfant P R L, Dimitrakopoulos C D, Gelorme J D, Kosbar L L, Graham T O, Curioni A, Andreoni W 2002 Appl. Phys. Lett. 80 2517
[10]	Nakabayashi J, Yamamoto D, Kurihara S 2009 Phys. Rev. Lett. 102 066803
[11]	Staykov A, Watanabe M, Ishihara T, Yoshizawa K 2014 J. Phys. Chem. C 118 27539
[12]	Cui B, Xu Y Q, Ji G M, Wang H, Zhao W K, Zhai Y X, Li D M, Liu D S 2014 Org. Electron. 15 484
[13]	Zeng M, Shen L, Zhou M, Zhang C, Feng Y 2011 Phys. Rev. B 83 115427
[14]	Deng X Q, Zhang Z H, Yang C H, Zhu H, Liang B 2013 Org. Electron. 14 3240
[15]	Wu T T, Wang X F, Zhai M X, Liu H, Zhou L, Jiang Y J 2012 Appl. Phys. Lett. 100 052112
[16]	Jiang C, Wang X F, Zhai M X 2014 Carbon 68 406
[17]	Ren H, Li Q X, Luo Y, Yang J 2009 Appl. Phys. Lett. 94 173110
[18]	Ferreira G J, Leuenberger M N, Loss D, Egues J C 2011 Phys. Rev. B 84 125453
[19]	Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V, Firsov A A 2004 Science 306 666
[20]	Long M Q, Tang L, Wang D, Wang L, Shuai Z 2009 J. Am. Chem. Soc. 131 17728
[21]	Geim A K, Novoselov K S 2007 Nature Mater. 6 183
[22]	Yazyev O V, Katsnelson M I 2008 Phys. Rev. Lett. 100 047209
[23]	Kim W Y, Kim K S 2008 Nature Nanotech. 3 408
[24]	Son Y W, Cohen M L, Louie S G 2006 Nature 444 347
[25]	Taylor J, Guo H, Wang J 2001 Phys. Rev. B 63 245407
[26]	Brandbyge M, Mozos J L, Ordejn P, Taylor J, Stokbro K 2002 Phys. Rev. B 65 165401
[27]	Wang Z F, Li Q X, Shi Q W, Wang X, Yang J, Hou J G, Chen J 2008 Appl. Phys. Lett. 92 133114
[28]	Deng X Q, Zhang Z H, Tang G P, Fan Z Q, Yang C H 2014 Carbon 66 646
[29]	Zeng J, Chen K Q 2015 J. Mater. Chem. C 3 5697
[30]	Deng X Q, Zhang Z H, Tang G P, Fan Z Q, Sun L, Li C X 2016 Org. Electron. 35 1
[31]	Chen T, Wang L L, Li X F, Luo K W, Xu L, Li Q, Zhang X H, Long M Q 2014 RSC Adv. 4 60376
[32]	Tan C M, Zhou Y H, Chen C Y, Yu J F, Chen K Q 2016 Org. Electron. 28 244
[33]	Wu Q H, Zhao P, Liu D S 2016 RSC Adv. 6 16634
[34]	Zhu L, Zou F, Gao J H, Fu Y S, Gao G Y, Fu H H, Wu M H, L J T, Yao K L 2015 Nanotechnology 26 315201
[35]	An Y P, Yang Z Q 2012 J. Appl. Phys. 111 043713
[36]	Zhou Y H, Zeng J, Tang L M, Chen K Q, Hu W P 2013 Org. Electron. 14 2940
[37]	Zhao P, Liu D, Chen G 2016 Org. Electron. 36 160
[38]	Niu P B, Shi Y L, Sun Z 2015 Chin. Phys. Lett. 32 117201
[39]	Bella D S, Fragala I, Ledoux I, Diaz-Garcia M A, Marks T J 1995 J. Am. Chem. Soc. 117 9481
[40]	Ortiz B, Park S M 2000 Bull. Korean Chem. Soc. 21 4405
[41]	DiLullo A, Chang S H, Baadji N, Clark K, Klckner J P, Prosenc M H, Sanvito S, Wiesendanger R, Hoffmann G, Hla S W 2012 Nano Lett. 12 3174
[42]	Bazarnik M, Bugenhagen B, Elsebach M, Sierda E, Frank A, Prosenc M H, Wiesendanger R 2016 Nano Lett. 16 577
[43]	Fujita M, Wakabayashi K, Nakada K, Kusakabe K J 1996 Phys. Soc. Jpn. 5 1920
[44]	Bttiker M, Imry Y, Landauer R, Pinhas S 1985 Phys. Rev. B 31 6207
[45]	Zeng M G, Shen L, Zhang C, Feng Y P 2011 Appl. Phys. Lett. 98 053101
[46]	Li Z, Qian H, Wu J, Gu B, Duan W 2008 Phys. Rev. Lett. 100 206802
[47]	Wang Z F, Li Q X, Shi Q W, Wang X P 2008 Appl. Phys. Lett. 92 133114
[48]	Stokbro K, Taylor J, Brandbyge M, Mozos J L, Ordejon P 2003 Comput. Mater. Sci. 27 151
[49]	Brown E R, Sderstrm J R, Parker C D, Mahoney L J, Molvar K M, McGill T C 1991 Appl. Phys. Lett. 58 2291
[50]	Broekaert T P E, Brar B, van der Wagt J P A, Seabaugh A C, Morris F J, Moise T S, Beam E A, Frazier G A 1998 IEEE J. Solid-St. Circ. 33 1342
[51]	Mathews R H, Sage J P, Sollner T G, Calawa S D, Chen C L, Mahoney L J, Maki P A, Molvar K M 1999 Proc. IEEE 87 596

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