Citation: Yishun Yang, Min Zhou, Yanxia Xing. Symmetry-Dependent Transport Properties of γ-Graphyne-based Molecular Magnetic Tunnel Junctions[J]. Acta Physico-Chimica Sinica, ;2022, 38(4): 200300. doi: 10.3866/PKU.WHXB202003004 shu

Symmetry-Dependent Transport Properties of γ-Graphyne-based Molecular Magnetic Tunnel Junctions

Yishun Yang ^{1, 2} ,
Min Zhou ^{1, 2,,} ,
Yanxia Xing ^{1, 2,,}

1.
Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement, Ministry of Education, Beijing Institute of Technology, Beijing 100081, China
2.
Beijing Key Laboratory of Nanophotonics and Ultrafine Optoelectronic Systems, Beijing Institute of Technology, Beijing 100081, China

Corresponding author: Min Zhou, zhoumin@bit.edu.cn Yanxia Xing, xingyanxia@bit.edu.cn
Received Date: 2 March 2020
Revised Date: 30 April 2020
Accepted Date: 5 May 2020
Available Online: 15 May 2020
Fund Project: the National Natural Science Foundation of China 11674024

The molecular magnetic tunnel junction (MMTJ) with high tunnel magnetoresistance (TMR) is an important component for devices such as computers and electronic storage. With the rapid development of the modern electronics industry, the decrease of device size and the increase of area density, it is important to improve TMR technology. In addition, the computing process faces huge challenges. As the size of electronic devices decreases, small changes may cause completely different transmission characteristics, therefore the minute details of the device must be carefully controlled. In this paper, in order to find large TMR values and explore the role of symmetry on spin-polarized transport properties, γ-graphyne nanodots (γ-GYND) coupled between ferromagnetic (FM) metallic zigzag graphene nanoribbon (ZGNR) electrodes were used. Depending on the widths of the ZGNR and two types of contact positions between the ZGNR and γ-graphyne nanodots (γ-GYND), eight ZGNR/γ-GYND/ZGNR MMTJs with different symmetries were constructed. By using Keldysh non-equilibrium Green's function (NEGF) and density functional theory (DFT), the I-V curve, the spin-injection efficiency (SIE) and TMR of MMTJs were calculated. We found that the transport properties of these MMTJs differed substantially. For absolute symmetric MMTJs, due to the wave functions corresponding to the band structure near the Fermi energy having different parity, the electron transport between the wave functions with different parity is prohibited, so we can see that the spin-down current is always zero. This implies that these absolutely symmetrical structures have 100% spin injection efficiency over a wide range of bias voltages. In addition, the calculation results also show that these absolutely symmetric structures also have large TMR at low bias, up to 3.7 × 10⁵, indicating that these devices have a large magnetoresistance effect and high magnetic field sensitivity, which can be used in the read head of computer hard disks, MRAM, and various magnetic sensors. However, for these asymmetric MMTJs, since there is no limitation of the wave function parity of the left and right electrodes, the spin-up current and spin-down current fluctuated as the bias voltage increased, so perfect SIE does not appear. In addition, the calculation results showed that the TMR of asymmetric MMTJs were four orders of magnitude smaller than with symmetric MMTJs. Thus the symmetry of MMTJs has a great influence on the spin-polarized transport properties of the device. These absolutely symmetrical MMTJs have spin-polarized transport properties that are far superior to other MMTJs. This is conducive to the manufacture of spin filters, rectifiers, and various magnetic sensors. Finally, these excellent characteristics can be explained by the transmission coefficient, local density of states (LDOS) and band structure.
1. [1]
  Wolf, S. A.; Treger, D.; Chtchelkanova, A. MRS Bull. 2011, 31, 400. doi: 10.1557/mrs2006.101 doi: 10.1557/mrs2006.101
2. [2]
  Seneor, P.; Dlubak, B.; Martin, M. B.; Anane, A.; Jaffres, H.; Fert, A. MRS Bull. 2012, 37, 1245. doi: 10.1557/mrs.2012.277 doi: 10.1557/mrs.2012.277
3. [3]
  Chambers, S. A.; Yoo, Y. K. MRS Bull. 2011, 28, 706. doi: 10.1557/mrs2003.210 doi: 10.1557/mrs2003.210
4. [4]
  Lyu, J. K.; Zhang, S. F.; Zhang, C. W.; Wang, P. J. Ann. Physik. 2019, 531, 1900017. doi: 10.1002/andp.201900017 doi: 10.1002/andp.201900017
5. [5]
  Chen, M.; Yu, Z.; Wang, Y.; Xie, Y.; Wang, J.; Guo, H. Phys. Chem. Chem. Phys. 2016, 18, 1601. doi: 10.1039/C5CP04652A doi: 10.1039/C5CP04652A
6. [6]
  Yang, Y. H.; Sun, H. J.; Peng, T. J.; Huang, Q. Acta Phys. -Chim. Sin. 2011, 27, 736. doi: 10.3866/PKU.WHXB20110320
7. [7]
  Hu, Y. J.; Jin, J.; Zhang, H.; Wu, P.; Cai, C. X. Acta Phys. -Chim. Sin. 2010, 26, 2073. doi: 10.3866/PKU.WHXB20100812
8. [8]
  Yang, L.; Park, C. H.; Son, Y. W.; Cohen, M. L.; Louie, S. G. Phys. Rev. Lett. 2007, 99, 186801. doi: 10.1103/physrevlett.99.186801 doi: 10.1103/physrevlett.99.186801
9. [9]
  Owens, F. J. J. Chem. Phys. 2008, 128, 194701. doi: 10.1063/1.2905215 doi: 10.1063/1.2905215
10. [10]
  Fujita, M.; Wakabayashi, K.; Nakada, K.; Kusakabe, K. J. Phys. Soc. Jpn. 1996, 65, 1920. doi: 10.1143/JPSJ.65.1920 doi: 10.1143/JPSJ.65.1920
11. [11]
  Kobayashi, Y.; Fukui, K. I.; Enoki, T.; Kusakabe, K. Phys. Rev. B 2006, 73, 125415. doi: 10.1103/PhysRevB.73.125415 doi: 10.1103/PhysRevB.73.125415
12. [12]
  Nakada, K.; Fujita, M.; Dresselhaus, G.; Dresselhaus, M. S. Phys. Rev. B 1996, 54, 17954. doi: 10.1103/physrevb.54.17954 doi: 10.1103/physrevb.54.17954
13. [13]
  Pisani, L.; Chan, J. A.; Montanari, B.; Harrison, N. M. Phys. Rev. B 2007, 75, 064418. doi: 10.1103/PhysRevB.75.064418 doi: 10.1103/PhysRevB.75.064418
14. [14]
  Wakabayashi, K.; Fujita, M.; Ajiki, H.; Sigrist, M. Carbon Based Magnet. 2006, 59, 279. doi: 10.1103/PhysRevB.59.8271 doi: 10.1103/PhysRevB.59.8271
15. [15]
  Yazyev, O. V.; Katsnelson, M. I. Phys. Rev. Lett. 2008, 100, 047209. doi: 10.1103/PhysRevLett.100.047209 doi: 10.1103/PhysRevLett.100.047209
16. [16]
  Qiao, Z.; Yang, S. A.; Wang, B.; Yao, Y.; Niu, Q. Phys. Rev. B 2011, 84, 035431. doi: 10.1103/PhysRevB.84.035431 doi: 10.1103/PhysRevB.84.035431
17. [17]
  Li, Z.; Qian, H.; Wu, J.; Gu, B. L.; Duan, W. Phys. Rev. Lett. 2008, 100, 206802. doi: 10.1103/physrevlett.100.206802 doi: 10.1103/physrevlett.100.206802
18. [18]
  Li, Y. J.; Li, Y. L. Acta Phys. -Chim. Sin. 2018, 34, 992. doi: 10.3866/PKU.WHXB201801302
19. [19]
  Xu, N.; Kong, F. J.; Wang, Y. Z. Acta Phys. -Chim. Sin. 2011, 27, 559. doi: 10.3866/PKU.WHXB20110305
20. [20]
  Spitler, E. L.; Ii, C. A.; Haley, M. M. Chem. Rev. 2006, 106, 5344. doi: 10.1002/chin.200718260 doi: 10.1002/chin.200718260
21. [21]
  Kehoe, J. M.; Kiley, J. H.; English, J. J.; Johnson, C. A.; Petersen, R. C.; Haley, M. M. Org. Lett. 2000, 2, 969. doi: 10.1002/chin.200027097 doi: 10.1002/chin.200027097
22. [22]
  Zhou, J.; Lv, K.; Wang, Q.; Chen, X. S.; Sun, Q.; Jena, P. J. Chem. Phys. 2011, 134, 174701. doi: 10.1063/1.3583476 doi: 10.1063/1.3583476
23. [23]
  Huang, C. S.; Li, Y. L. Acta. Phys. -Chim. Sin. 2016, 32, 1314. doi: 10.3866/PKU.WHXB201605035
24. [24]
  Xi, J. Y.; Nakamura, Y. M.; Zhao, T. Q.; Wang, D.; Shuai, Z. G. Acta. Phys. -Chim. Sin. 2018, 34, 961. doi: 10.3866/PKU.WHXB201802051
25. [25]
  Wu, W.; Guo, W.; Zeng, X. C. Nanoscale 2013, 5, 9264. doi: 10.1039/c3nr03167e doi: 10.1039/c3nr03167e
26. [26]
  Shao, Z. G.; Sun, Z. L. Phys. E. 2015, 74, 438. doi: 10.1016/j.physe.2015.07.011 doi: 10.1016/j.physe.2015.07.011
27. [27]
  Kim, G. B.; Choi; Joon, H. Phys. Rev. B 2012, 79, 86. doi: 10.1103/PhysRevB.86.115435 doi: 10.1103/PhysRevB.86.115435
28. [28]
  Ni, Y.; Yao, K. L.; Fu, H. H.; Gao, G. Y.; Zhu, S. C.; Luo, B.; Wang, S. L.; Li, R. X. Nanoscale 2013, 5, 4468. doi: 10.1039/C3NR00731F doi: 10.1039/C3NR00731F
29. [29]
  Lu, J.; Guo, Y.; Zhang, Y.; Cao, J. Int. J. Hydrogen Energy 2014, 39, 17112. doi: 10.1016/j.ijhydene.2014.08.066 doi: 10.1016/j.ijhydene.2014.08.066
30. [30]
  Yue, Q.; Chang, S.; Tan, J.; Qin, S.; Kang, J.; Li, J. Phys. Rev. B 2012, 86, 235448. doi: 10.1103/physrevb.86.235448 doi: 10.1103/physrevb.86.235448
31. [31]
  Zhai, M. X.; Wang, X. F.; Vasilopoulos, P.; Liu, Y. S.; Dong, Y. J.; Zhou, L.; Jiang, Y. J.; You, W. L. Nanoscale 2014, 6, 11121. doi: 10.1039/c4nr02426e doi: 10.1039/c4nr02426e
32. [32]
  Ding, H.; Bai, H.; Huang, Y. AIP Adv. 2015, 5, 077153. doi: 10.1063/1.4927497 doi: 10.1063/1.4927497
33. [33]
  León, A.; Pacheco, M. Chem. Phys. Lett. 2015, 620, 67. doi: 10.1016/j.cplett.2014.12.038 doi: 10.1016/j.cplett.2014.12.038
34. [34]
  Saraiva-Souza, A.; Smeu, M.; Zhang, L.; Ratner, M. A.; Guo, H. J. Phys. Chem. C 2016, 120, 4605. doi: 10.1021/acs.jpcc.5b11235 doi: 10.1021/acs.jpcc.5b11235
35. [35]
  Wang, B.; Li, J.; Yu, Y.; Wei, Y.; Wang, J.; Guo, H. Nanoscale 2016, 8, 3432. doi: 10.1039/C5NR06585B doi: 10.1039/C5NR06585B
36. [36]
  Waldron, D.; Haney, P.; Larade, B.; MacDonald, A.; Guo, H. Phys. Rev. Lett. 2006, 96, 166804. doi: 10.1103/PhysRevLett.96.166804 doi: 10.1103/PhysRevLett.96.166804
37. [37]
  Waldron, D.; Timoshevskii, V.; Hu, Y.; Xia, K.; Guo, H. Phys. Rev. Lett. 2006, 97, 226802. doi: 10.1103/PhysRevLett.97.226802 doi: 10.1103/PhysRevLett.97.226802
38. [38]
  Taylor, J.; Guo, H.; Wang, J. Phys. Rev. B 2001, 63, 245407. doi: 10.1103/PhysRevB.63.245407 doi: 10.1103/PhysRevB.63.245407
39. [39]
  Taylor, J.; Guo, H.; Wang, J. Phys. Rev. B 2001, 63, 121104. doi: 10.1103/PhysRevB.63.121104 doi: 10.1103/PhysRevB.63.121104
40. [40]
  Ordejón; Pablo and Artacho; Emilio and Soler; M. A. J. Phys. Rev. B: Condens. Matter 1996, 53, R10441. doi: 10.1103/PhysRevB.53.r10441 doi: 10.1103/PhysRevB.53.r10441
41. [41]
  Artacho, E.; Anglada, E.; Diéguez, O.; Gale; J.; García, A.; Junquera, J.; Martin, R. M.; Ordejón, P.; Pruneda, J. M.; Sánchez-Portal, D. J.; et al. Phys. Condes. Matter 2008, 20, 064208. doi: 10.1088/0953-8984/20/6/064208 doi: 10.1088/0953-8984/20/6/064208
42. [42]
  Perdew, J. P.; Zunger, A. Phys. Rev. B: Condes. Matter 1981, 23, 5048. doi: 10.1103/PhysRevB.23.5048 doi: 10.1103/PhysRevB.23.5048
43. [43]
  Velev, J. P.; Belashchenko, K. D.; Jaswal, S. S.; Tsymbal, E. Y. Appl. Phys. Lett. 2007, 90, 72502. doi: 10.1063/1.2643027 doi: 10.1063/1.2643027
44. [44]
  Troullier, N.; Martins, J. L. Phys. Rev. B: Condes. Matter 1991, 43, 1993. doi: 10.1103/PhysRevB.43.1993 doi: 10.1103/PhysRevB.43.1993
1. [1]
  Yuxiang Zhang , Jia Zhao , Sen Lin . Nitrogen doping retrofits the coordination environment of copper single-atom catalysts for deep CO2 reduction. Chinese Journal of Structural Chemistry, 2024, 43(11): 100415-100415. doi: 10.1016/j.cjsc.2024.100415
2. [2]
  Wei Chen , Pieter Cnudde . A minireview to ketene chemistry in zeolite catalysis. Chinese Journal of Structural Chemistry, 2024, 43(11): 100412-100412. doi: 10.1016/j.cjsc.2024.100412
3. [3]
  Fanjun Kong , Yixin Ge , Shi Tao , Zhengqiu Yuan , Chen Lu , Zhida Han , Lianghao Yu , Bin Qian . Engineering and understanding SnS_0.5Se_0.5@N/S/Se triple-doped carbon nanofibers for enhanced sodium-ion batteries. Chinese Chemical Letters, 2024, 35(4): 108552-. doi: 10.1016/j.cclet.2023.108552
4. [4]
  Lingling Su , Qunyan Wu , Congzhi Wang , Jianhui Lan , Weiqun Shi . Theoretical design of polyazole based ligands for the separation of Am(Ⅲ)/Eu(Ⅲ). Chinese Chemical Letters, 2024, 35(8): 109402-. doi: 10.1016/j.cclet.2023.109402
5. [5]
  Yu-Hang Li , Shuai Gao , Lu Zhang , Hanchun Chen , Chong-Chen Wang , Haodong Ji . Insights on selective Pb adsorption via O 2p orbit in UiO-66 containing rich-zirconium vacancies. Chinese Chemical Letters, 2024, 35(8): 109894-. doi: 10.1016/j.cclet.2024.109894
6. [6]
  Xin-Tong Zhao , Jin-Zhi Guo , Wen-Liang Li , Jing-Ping Zhang , Xing-Long Wu . Two-dimensional conjugated coordination polymer monolayer as anode material for lithium-ion batteries: A DFT study. Chinese Chemical Letters, 2024, 35(6): 108715-. doi: 10.1016/j.cclet.2023.108715
7. [7]
  Jiajun Wang , Guolin Yi , Shengling Guo , Jianing Wang , Shujuan Li , Ke Xu , Weiyi Wang , Shulai Lei . Computational design of bimetallic TM₂@g-C₉N₄ electrocatalysts for enhanced CO reduction toward C₂ products. Chinese Chemical Letters, 2024, 35(7): 109050-. doi: 10.1016/j.cclet.2023.109050
8. [8]
  Maitri Bhattacharjee , Rekha Boruah Smriti , R. N. Dutta Purkayastha , Waldemar Maniukiewicz , Shubhamoy Chowdhury , Debasish Maiti , Tamanna Akhtar . Synthesis, structural characterization, bio-activity, and density functional theory calculation on Cu(Ⅱ) complexes with hydrazone-based Schiff base ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1409-1422. doi: 10.11862/CJIC.20240007
9. [9]
  Xiaochen Zhang , Fei Yu , Jie Ma . 多角度数理模拟在电容去离子中的前沿应用. Acta Physico-Chimica Sinica, 2024, 40(11): 2311026-. doi: 10.3866/PKU.WHXB202311026
10. [10]
  Yinglian LI , Chengcheng ZHANG , Xinyu ZHANG , Xinyi WANG . Spin crossover in [Co(pytpy)₂]²⁺ complexes modified by organosulfonate anions. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1162-1172. doi: 10.11862/CJIC.20240087
11. [11]
  Xian-Fa Jiang , Chongyun Shao , Zhongwen Ouyang , Zhao-Bo Hu , Zhenxing Wang , You Song . Generating electron spin qubit in metal-organic frameworks via spontaneous hydrolysis. Chinese Chemical Letters, 2024, 35(7): 109011-. doi: 10.1016/j.cclet.2023.109011
12. [12]
  Xin Li , Wanting Fu , Ruiqing Guan , Yue Yuan , Qinmei Zhong , Gang Yao , Sheng-Tao Yang , Liandong Jing , Song Bai . Nucleophiles promotes the decomposition of electrophilic functional groups of tetracycline in ZVI/H₂O₂ system: Efficiency and mechanism. Chinese Chemical Letters, 2024, 35(10): 109625-. doi: 10.1016/j.cclet.2024.109625
13. [13]
  Guiyang Zheng , Xuelian Kang , Haoran Ye , Wei Fan , Christian Sonne , Su Shiung Lam , Rock Keey Liew , Changlei Xia , Yang Shi , Shengbo Ge . Recent advances in functional utilisation of environmentally friendly and recyclable high-performance green biocomposites: A review. Chinese Chemical Letters, 2024, 35(4): 108817-. doi: 10.1016/j.cclet.2023.108817
14. [14]
  Boyuan Hu , Jian Zhang , Yulin Yang , Yayu Dong , Jiaqi Wang , Wei Wang , Kaifeng Lin , Debin Xia . Dual-functional POM@IL complex modulate hole transport layer properties and interfacial charge dynamics for highly efficient and stable perovskite solar cells. Chinese Chemical Letters, 2024, 35(7): 108933-. doi: 10.1016/j.cclet.2023.108933
15. [15]
  Zhili Li , Qijun Wo , Dongdong Huang , Dezhong Zhou , Lei Guo , Yeqing Mao . Improving gene transfection efficiency of highly branched poly(β-amino ester)s through the in-situ conversion of inactive terminal groups. Chinese Chemical Letters, 2024, 35(8): 109737-. doi: 10.1016/j.cclet.2024.109737
16. [16]
  Fei Jin , Bolin Yang , Xuanpu Wang , Teng Li , Noritatsu Tsubaki , Zhiliang Jin . Facilitating efficient photocatalytic hydrogen evolution via enhanced carrier migration at MOF-on-MOF S-scheme heterojunction interfaces through a graphdiyne (CnH2n-2) electron transport layer. Chinese Journal of Structural Chemistry, 2023, 42(12): 100198-100198. doi: 10.1016/j.cjsc.2023.100198
17. [17]
  Yunfei Shen , Long Chen . Gradient imprinted Zn metal anodes assist dendrites-free at high current density/capacity. Chinese Journal of Structural Chemistry, 2024, 43(10): 100321-100321. doi: 10.1016/j.cjsc.2024.100321
18. [18]
  Tian Cao , Xuyin Ding , Qiwen Peng , Min Zhang , Guoyue Shi . Intelligent laser-induced graphene sensor for multiplex probing catechol isomers. Chinese Chemical Letters, 2024, 35(7): 109238-. doi: 10.1016/j.cclet.2023.109238
19. [19]
  Rui Liu , Jinbo Pang , Weijia Zhou . Monolayer water shepherding supertight MXene/graphene composite films. Chinese Journal of Structural Chemistry, 2024, 43(10): 100329-100329. doi: 10.1016/j.cjsc.2024.100329
20. [20]
  Uttam Pandurang Patil . Porous carbon catalysis in sustainable synthesis of functional heterocycles: An overview. Chinese Chemical Letters, 2024, 35(8): 109472-. doi: 10.1016/j.cclet.2023.109472

Get Citation

PDF

XML

Metrics

PDF Downloads(6)
Abstract views(198)
HTML views(24)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142