Chin. Phys. Lett.  2014, Vol. 31 Issue (04): 048502    DOI: 10.1088/0256-307X/31/4/048502
CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY |
Spin Polarization Properties of Na Doped Meridianal Tris(8-Hydroxyquinoline) Aluminum Studied by First Principles Calculations
REN Jun-Feng**, YUAN Xiao-Bo, HU Gui-Chao
College of Physics and Electronics, Shandong Normal University, Jinan 250014
Cite this article:   
REN Jun-Feng, YUAN Xiao-Bo, HU Gui-Chao 2014 Chin. Phys. Lett. 31 048502
Download: PDF(618KB)  
Export: BibTeX | EndNote | Reference Manager | ProCite | RefWorks
Abstract We theoretically investigate the electronic structure and spin polarization properties of Na-doped meridianal tris(8-hydroxyquinoline) aluminum (Alq3) by first principles calculations. It is found that the spin density is distributed mainly in the Alq3 part in the Alq3:Na complex. Electron charge transfer takes place from the Na atom to the Alq3 molecule, which induces asymmetric changing of the molecule bond lengths, thus the spin density distribution becomes asymmetric. Spin polarization of the complex originates from the preferable filling of the spin-split nitrogen and carbon p-orbitals because of the different bond length changes of the Alq3 molecule upon Na doping.
Received: 28 November 2013      Published: 25 March 2014
PACS:  85.75.-d (Magnetoelectronics; spintronics: devices exploiting spin polarized transport or integrated magnetic fields)  
  73.61.Ph (Polymers; organic compounds)  
  71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)  
  31.15.-p (Calculations and mathematical techniques in atomic and molecular physics)  
TRENDMD:   
URL:  
https://cpl.iphy.ac.cn/10.1088/0256-307X/31/4/048502       OR      https://cpl.iphy.ac.cn/Y2014/V31/I04/048502
Service
E-mail this article
E-mail Alert
RSS
Articles by authors
REN Jun-Feng
YUAN Xiao-Bo
HU Gui-Chao
[1] Naber W J M, Faez S and Gvan der Wie W 2007 J. Phys. D: Appl. Phys. 40 R205
[2] Dediu V A, Hueso L E, Bergenti I and Taliani C 2009 Nat. Mater. 8 707
[3] Gu H, Zhang X, Wei H, Huang Y, Wei S and Guo Z 2013 Chem. Soc. Rev. 42 5907
[4] Raman K V et al 2013 Nature 493 509
[5] Kalinowski J, Cocchi M, Virgili D, Marco P D and Fattori V 2003 Chem. Phys. Lett. 380 710
[6] Tarafder K, Sanyal B and Oppeneer P M 2010 Phys. Rev. B 82 060413 (R)
[7] Xiong Z H, Wu D, Valy Vardeny Z and Shi J 2004 Nature 427 821
[8] Barraud C et al 2010 Nat. Phys. 6 625
[9] Giro R, Rosselli F P, Carvalho R S, Capaz R B, Cremona M and Achete C A 2013 Phys. Rev. B 87 125204
[10] Baik J M, Shon Y, Lee S J, Jeong Y H, Kang T W, Lee J L 2008 J. Am. Chem. Soc. 130 13522
[11] Wang Y P, Han X F, Wu Y N and Cheng H P 2012 Phys. Rev. B 85 144430
[12] Wang F, Pang Z, Lin L, Fang S, Dai Y and Han S 2010 Appl. Phys. Lett. 96 053304
[13] Zhang R Q, Lu W C, Lee C S, Hung L S and Lee S T 2002 J. Chem. Phys. 116 8827
[14] Meloni S, Palma A, Schwartz J, Kahni A and Car R 2003 J. Am. Chem. Soc. 125 7808
[15] Yu S et al 2013 J. Phys. Chem. Lett. 4 3170
[16] Li Y Q, Tang J X and Hung L S 2003 Chem. Phys. Lett. 376 90
[17] Chan M Y, Lee C S and Lee S T 2007 Adv. Funct. Mater. 17 2509
[18] Johansson N, Osada T, Stafstr?m S, Salaneck W R, Parente V, Santos D A D, Crispin X and Bredas L J 1999 J. Chem. Phys. 111 2157
[19] Kim K, Hong K, Kim S and Lee J L 2012 J. Phys. Chem. C 116 9158
[20] Kresse G and Hafner J 1993 Phys. Rev. B 47 558
Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169
[21] Curioni A, Boero M and Andreoni W 1998 Chem. Phys. Lett. 294 263
[22] Halls M D and Schlegel H B 2001 Chem. Mater. 13 2632
[23] Zhang R Q, Lee C S and Lee S T 2000 Chem. Phys. Lett. 326 413
[24] Yuan X B and Ren J F 2013 J. Phys. Chem. C 117 16238
[25] Hou D, Qiu J, Xie S and Saxena A 2013 New J. Phys. 15 073044
Related articles from Frontiers Journals
[1] Zhaonian Jin, Minhang Song, Henan Fang, Lin Chen, Jiangwei Chen, and Zhikuo Tao. Characteristics and Applications of Current-Driven Magnetic Skyrmion Strings[J]. Chin. Phys. Lett., 2022, 39(10): 048502
[2] Lin Huang, Yongjian Zhou, Tingwen Guo, Feng Pan, and Cheng Song. Tunable Spin Hall Magnetoresistance in All-Antiferromagnetic Heterostructures[J]. Chin. Phys. Lett., 2022, 39(4): 048502
[3] Xiufeng Han, Yu Zhang, Yizhan Wang, Li Huang, Qinli Ma, Houfang Liu, Caihua Wan, Jiafeng Feng, Lin Yin, Guoqiang Yu, Tian Yu, and Yu Yan. High-Sensitivity Tunnel Magnetoresistance Sensors Based on Double Indirect and Direct Exchange Coupling Effect[J]. Chin. Phys. Lett., 2021, 38(12): 048502
[4] Qian Ye, Yu-Hao Shen, and Chun-Gang Duan. Ferroelectric Controlled Spin Texture in Two-Dimensional NbOI$_{2}$ Monolayer[J]. Chin. Phys. Lett., 2021, 38(8): 048502
[5] Yu Suo, Hao Yang, and Jiyong Fu. Distinct Three-Level Spin–Orbit Control Associated with Electrically Controlled Band Swapping[J]. Chin. Phys. Lett., 2020, 37(11): 048502
[6] Yingjie Zhang, Pengfei Liu, Hongyi Sun, Shixuan Zhao, Hu Xu, and Qihang Liu. Symmetry-Assisted Protection and Compensation of Hidden Spin Polarization in Centrosymmetric Systems[J]. Chin. Phys. Lett., 2020, 37(8): 048502
[7] Ya-Bo Chen, Xiao-Kuo Yang, Tao Yan, Bo Wei, Huan-Qing Cui, Cheng Li, Jia-Hao Liu, Ming-Xu Song, and Li Cai. Voltage-Driven Adaptive Spintronic Neuron for Energy-Efficient Neuromorphic Computing[J]. Chin. Phys. Lett., 2020, 37(7): 048502
[8] Si-Wei Mao, Jun Lu, Long Yang, Xue-Zhong Ruan, Hai-Long Wang, Da-Hai Wei, Yong-Bing Xu, Jian-Hua Zhao. Ultrafast Magnetization Precession in Perpendicularly Magnetized $L1_{0}$-MnAl Thin Films with Co$_{2}$MnSi Buffer Layers[J]. Chin. Phys. Lett., 2020, 37(5): 048502
[9] He-Nan Fang, Yuan-Yuan Zhong, Ming-Wen Xiao, Xuan Zang, Zhi-Kuo Tao. Effect of Lattice Distortion on the Magnetic Tunnel Junctions Consisting of Periodic Grating Barrier and Half-Metallic Electrodes[J]. Chin. Phys. Lett., 2020, 37(3): 048502
[10] Xin Shang, Hai-Wen Liu, Ke Xia. Charge Transport Properties of the Majorana Zero Mode Induced Noncollinear Spin Selective Andreev Reflection[J]. Chin. Phys. Lett., 2019, 36(10): 048502
[11] Zheng-Wei Xie, Ling Li. Spin-Polarization in Quasi-Magnetic Tunnel Junctions[J]. Chin. Phys. Lett., 2017, 34(5): 048502
[12] Yuan-Yuan Guo, Fei-Fei Zhao, Hai-Bin Xue, Zhe-Jie Liu. Zero-Magnetic-Field Oscillation of Spin Transfer Nano-Oscillator with a Second-Order-Perpendicular-Anisotropy Free Layer[J]. Chin. Phys. Lett., 2016, 33(03): 048502
[13] NIU Peng-Bin, SHI Yun-Long, SUN Zhu, NIE Yi-Hang, LUO Hong-Gang. Phonon-Assisted Spin Current in Single Molecular Magnet Junctions[J]. Chin. Phys. Lett., 2015, 32(11): 048502
[14] XIA Yu-Qian, SUN Lei, XU Hao, HAN Jing-Wen, ZHANG Yi-Bo, WANG Yi, ZHANG Sheng-Dong. Magnetic Properties of Co-Doped TiO2 Films Grown on TiN Buffered Silicon Substrates[J]. Chin. Phys. Lett., 2014, 31(2): 048502
[15] WANG Qi, ZHU Xiao-Feng, YUAN Xiao-Wen, CHEN Chang-Qing, LUO Xiang-Dong, ZHANG Bo. Sub-Wavelength Near-Field Metal Detection using an On-Chip Spintronic Technique[J]. Chin. Phys. Lett., 2013, 30(12): 048502
Viewed
Full text


Abstract