Theoretical design of single-molecule NOR and XNOR logic gates by using transition metal dibenzotetraaza[14]annulenes

doi:10.1088/1674-1056/ab84cf

中国物理B ›› 2020, Vol. 29 ›› Issue (6): 67202-067202.doi: 10.1088/1674-1056/ab84cf

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇下一篇

Theoretical design of single-molecule NOR and XNOR logic gates by using transition metal dibenzotetraaza[14]annulenes

Zi-Qun Wang(王子群), Fei Tang(唐菲), Mi-Mi Dong(董密密), Ming-Lang Wang(王明郎), Gui-Chao Hu(胡贵超), Jian-Cai Leng(冷建材), Chuan-Kui Wang(王传奎), Guang-Ping Zhang(张广平)

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 Department of Physics, School of Electronic and Information Engineering, Qilu University of Technology(Shandong Academy of Sciences), Jinan 250353, China

收稿日期:2020-01-01 修回日期:2020-03-19 出版日期:2020-06-05 发布日期:2020-06-05
通讯作者: Chuan-Kui Wang, Guang-Ping Zhang E-mail:ckwang@sdnu.edu.cn;zhangguangping@sdnu.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11874242, 21933002, and 11704230), China Postdoctoral Science Foundation (Grant No. 2017M612321), and the Taishan Scholar Project of Shandong Province of China.

Theoretical design of single-molecule NOR and XNOR logic gates by using transition metal dibenzotetraaza[14]annulenes

Zi-Qun Wang(王子群)¹, Fei Tang(唐菲)¹, Mi-Mi Dong(董密密)¹, Ming-Lang Wang(王明郎)¹, Gui-Chao Hu(胡贵超)¹, Jian-Cai Leng(冷建材)², Chuan-Kui Wang(王传奎)¹, Guang-Ping Zhang(张广平)¹

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 Department of Physics, School of Electronic and Information Engineering, Qilu University of Technology(Shandong Academy of Sciences), Jinan 250353, China

Received:2020-01-01 Revised:2020-03-19 Online:2020-06-05 Published:2020-06-05
Contact: Chuan-Kui Wang, Guang-Ping Zhang E-mail:ckwang@sdnu.edu.cn;zhangguangping@sdnu.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11874242, 21933002, and 11704230), China Postdoctoral Science Foundation (Grant No. 2017M612321), and the Taishan Scholar Project of Shandong Province of China.

摘要/Abstract

摘要： The idea of replacing traditional silicon-based electronic components with the ones assembled by organic molecules to further scale down the electric circuits has been attracting extensive research focuses. Among the molecularly assembled components, the design of molecular logic gates with simple structure and high Boolean computing speed remains a great challenge. Here, by using the state-of-the-art nonequilibrium Green's function theory in conjugation with first-principles method, the spin transport properties of single-molecule junctions comprised of two serially connected transition metal dibenzotetraaza[14]annulenes (TM(DBTAA), TM=Fe, Co) sandwiched between two single-walled carbon nanotube electrodes are theoretically investigated. The numerical results show a close dependence of the spin-resolved current-voltage characteristics on spin configurations between the left and right molecular kernels and the kind of TM atom in TM(DBTAA) molecule. By taking advantage of spin degree of freedom of electrons, NOR or XNOR Boolean logic gates can be realized in Fe(DBTAA) and Co(DBTAA) junctions depending on the definitions of input and output signals. This work proposes a new kind of molecular logic gates and hence is helpful for further miniaturization of the electric circuits.

关键词: single-molecule junction, molecular logic gate, spin transport, nonequilibrium Green', s function method

Abstract: The idea of replacing traditional silicon-based electronic components with the ones assembled by organic molecules to further scale down the electric circuits has been attracting extensive research focuses. Among the molecularly assembled components, the design of molecular logic gates with simple structure and high Boolean computing speed remains a great challenge. Here, by using the state-of-the-art nonequilibrium Green's function theory in conjugation with first-principles method, the spin transport properties of single-molecule junctions comprised of two serially connected transition metal dibenzotetraaza[14]annulenes (TM(DBTAA), TM=Fe, Co) sandwiched between two single-walled carbon nanotube electrodes are theoretically investigated. The numerical results show a close dependence of the spin-resolved current-voltage characteristics on spin configurations between the left and right molecular kernels and the kind of TM atom in TM(DBTAA) molecule. By taking advantage of spin degree of freedom of electrons, NOR or XNOR Boolean logic gates can be realized in Fe(DBTAA) and Co(DBTAA) junctions depending on the definitions of input and output signals. This work proposes a new kind of molecular logic gates and hence is helpful for further miniaturization of the electric circuits.

Key words: single-molecule junction, molecular logic gate, spin transport, nonequilibrium Green', s function method

中图分类号: (Spin polarized transport)

72.25.-b

85.65.+h (Molecular electronic devices) 85.75.-d (Magnetoelectronics; spintronics: devices exploiting spin polarized transport or integrated magnetic fields)

王子群, 唐菲, 董密密, 王明郎, 胡贵超, 冷建材, 王传奎, 张广平. Theoretical design of single-molecule NOR and XNOR logic gates by using transition metal dibenzotetraaza[14]annulenes[J]. 中国物理B, 2020, 29(6): 67202-067202.

Zi-Qun Wang(王子群), Fei Tang(唐菲), Mi-Mi Dong(董密密), Ming-Lang Wang(王明郎), Gui-Chao Hu(胡贵超), Jian-Cai Leng(冷建材), Chuan-Kui Wang(王传奎), Guang-Ping Zhang(张广平). Theoretical design of single-molecule NOR and XNOR logic gates by using transition metal dibenzotetraaza[14]annulenes[J]. Chin. Phys. B, 2020, 29(6): 67202-067202.

参考文献 51

[1]	Aviram A and Ratner M A 1974 Chem. Phys. Lett. 29 277 doi: 10.1016/0009-2614(74)85031-1
[2]	Xin N, Guan J, Zhou C, Chen X, Gu C, Li Y, Ratner M A, Nitzan A, Stoddart J F and Guo X 2019 Nat. Rev. Phys. 1 211 doi: 10.1038/s42254-019-0022-x
[3]	Xiang D, Wang X, Jia C, Lee T and Guo X 2016 Chem. Rev. 116 4318 doi: 10.1021/acs.chemrev.5b00680
[4]	Guo X 2018 Molecular-Scale Electronics: Current Status and Perspectives (Switzerland: Springer International Publishing)
[5]	Xu B and Tao N J 2003 Science 301 1221 doi: 10.1126/science.1087481
[6]	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 054023 doi: 10.1103/PhysRevApplied.9.054023
[7]	Liu R, Wang C K and Li Z L 2016 Sci. Rep. 6 21946 doi: 10.1038/srep21946
[8]	Brandbyge M, Mozos J L, Ordejón P, Taylor J and Stokbro K 2002 Phys. Rev. B 65 165401 doi: 10.1103/PhysRevB.65.165401
[9]	Shu C H, Liu M X, Zha Z Q, Pan J L, Zhang S Z, Xie Y L, Chen J L, Yuan D W, Qiu X H and Liu P N 2018 Nat. Commun. 9 2322 doi: 10.1038/s41467-018-04681-z
[10]	Yu J X, Hou Z W and Liu X Y 2015 Chin. Phys. B 24 067307 doi: 10.1088/1674-1056/24/6/067307
[11]	Chen X, Roemer M, Yuan L, Du W, Thompson D, del Barco E and Nijhuis C A 2017 Nat. Nanotechnol. 12 797 doi: 10.1038/nnano.2017.110
[12]	Wei M Z, Wang Z Q, Fu X X, Hu G C, Li Z L, Wang C K and Zhang G P 2018 Physica E 103 397 doi: 10.1016/j.physe.2018.05.041
[13]	Fu H Y, Sun F, Liu R, Suo Y Q, Bi J J, Wang C K and Li Z L 2019 Phys. Lett. A 383 867 doi: 10.1016/j.physleta.2018.12.001
[14]	Tans S J, Verschueren A R M and Dekker C 1998 Nature 393 49 doi: 10.1038/29954
[15]	Meng L, Xin N, Hu C et al. 2019 Nat. Commun. 10 1450 doi: 10.1038/s41467-019-09120-1
[16]	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. B 26 098508 doi: 10.1088/1674-1056/26/9/098508
[17]	He Y, Zhang J and Zhao J 2014 J. Phys. Chem. C 118 18325 doi: 10.1021/jp502534d
[18]	Wang Z Q, Wei M Z, Dong M M, Hu G C, Li Z L, Wang C K and Zhang G P 2018 J. Phys. Chem. C 122 17650 doi: 10.1021/acs.jpcc.8b03761
[19]	Weckbecker D, Coto P and Thoss M 2017 Nano Lett. 17 3341 doi: 10.1021/acs.nanolett.6b04813
[20]	Zhang G P, Mu Y Q, Zhao J M, Huang H, Hu G C, Li Z L and Wang C K 2019 Physica E 109 1
[21]	Fu X X, Zhang L X, Li Z L and Wang C K 2013 Chin. Phys. B 22 028504 doi: 10.1088/1674-1056/22/2/028504
[22]	Meng F, Hervault Y M, Shao Q, Hu B, Norel L, Rigaut S and Chen X 2014 Nat. Commun. 5 3023 doi: 10.1038/ncomms4023
[23]	Zhang N, Lo W Y, Jose A, Cai Z, Li L and Yu L 2017 Adv. Mater. 29 1701248 doi: 10.1002/adma.201701248
[24]	Collier C, Wong E, Belohradský M, Raymo F, Stoddart J, Kuekes P, Williams R and Heath J 1999 Science 285 391 doi: 10.1126/science.285.5426.391
[25]	Erbas-Cakmak S, Kolemen S, Sedgwick A C, Gunnlaugsson T, James T D, Yoon J and Akkaya E U 2018 Chem. Soc. Rev. 47 2228 doi: 10.1039/C7CS00491E
[26]	de Silva A P and Uchiyama S 2007 Nat. Nanotechnol. 2 399 doi: 10.1038/nnano.2007.188
[27]	Rocha A R, García-Suárez V M, Bailey S W, Lambert C J, Ferrer J and Sanvito S 2005 Nat. Mater. 4 335 doi: 10.1038/nmat1349
[28]	Pati R, Senapati L, Ajayan P M and Nayak S K 2003 Phys. Rev. B 68 100407 doi: 10.1103/PhysRevB.68.100407
[29]	Hu G C, Zhang Z, Li Y, Ren J F and Wang C K 2016 Chin. Phys. B 25 057308 doi: 10.1088/1674-1056/25/5/057308
[30]	Wan H, Zhou B, Chen X, Sun C Q and Zhou G 2012 J. Phys. Chem. C 116 2570 doi: 10.1021/jp2092576
[31]	Gu X R, Guo L D and Sun X N 2018 Chin. Phys. B 27 107202 doi: 10.1088/1674-1056/27/10/107202
[32]	Zhang X W, Zhao H, Sang T, Liu X C and Cai T 2013 Chin. Phys. Lett. 30 017201 doi: 10.1088/0256-307X/30/1/017201
[33]	Qiu Z W and Hou D 2019 Chin. Phys. B 28 088504 doi: 10.1088/1674-1056/28/8/088504
[34]	Hao R, Zang R, Zhou T, Kan S, Yan S, Liu G, Han G, Yu S and Mei L 2019 Chin. Phys. B 28 037202 doi: 10.1088/1674-1056/28/3/037202
[35]	Zhao W, Zou D, Yang C L and Sun Z 2017 J. Mater. Chem. C 5 8862 doi: 10.1039/C7TC02312J
[36]	Zeng J and Chen K Q 2018 Phys. Chem. Chem. Phys. 20 3997 doi: 10.1039/C7CP07795E
[37]	Gao X J, Zhao P and Chen G 2018 Org. Electron. 62 277 doi: 10.1016/j.orgel.2018.08.023
[38]	Whyte A M, Shuku Y, Nichol G S, Matsushita M M, Awaga K and Robertson N 2012 J. Mater. Chem. 22 17967 doi: 10.1039/c2jm33079b
[39]	Khaledi H, Olmstead M M, Mohd Ali H and Thomas N F 2013 Inorg. Chem. 52 1926 doi: 10.1021/ic302150j
[40]	Wu Q H, Zhao P and Chen G 2015 Org. Electron. 25 308 doi: 10.1016/j.orgel.2015.07.013
[41]	Zeng J and Chen K Q 2016 Carbon 104 20 doi: 10.1016/j.carbon.2016.03.037
[42]	Rong Y and Warner J H 2014 ACS Nano 8 11907 doi: 10.1021/nn5065524
[43]	Zeng M, Shen L, Cai Y, Sha Z and Feng Y 2010 Appl. Phys. Lett. 96 042104 doi: 10.1063/1.3299264
[44]	Zanolli Z, Onida G and Charlier J C 2010 ACS Nano 4 5174 doi: 10.1021/nn100712q
[45]	Wang B, Li J, Yu Y, Wei Y, Wang J and Guo H 2016 Nanoscale 8 3432 doi: 10.1039/C5NR06585B
[46]	Khoo K H, Neaton J B, Son Y W, Cohen M L and Louie S G 2008 Nano Lett. 8 2900 doi: 10.1021/nl8017143
[47]	Shen L, Zeng M, Yang S W, Zhang C, Wang X and Feng Y 2010 J. Am. Chem. Soc. 132 11481 doi: 10.1021/ja909531c
[48]	Song Y, Xie Z, Zhang G P, Ma Y and Wang C K 2013 J. Phys. Chem. C 117 20951 doi: 10.1021/jp406746n
[49]	Soler J M, Artacho E, Gale J D, García A, Junquera J, Ordejón P and Sánchez-Portal D 2002 J. Phys.: Condens. Matter 14 2745 doi: 10.1088/0953-8984/14/11/302
[50]	Atomistix ToolKit, version 2015 1; QuantumWise A/S, https://quantumwise.com (accessed Dec. 31 2019)
[51]	Büttiker M, Imry Y, Landauer R and Pinhas S 1985 Phys. Rev. B 31 6207 doi: 10.1103/PhysRevB.31.6207

Theoretical design of single-molecule NOR and XNOR logic gates by using transition metal dibenzotetraaza[14]annulenes

Theoretical design of single-molecule NOR and XNOR logic gates by using transition metal dibenzotetraaza[14]annulenes

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