First-principles calculations on spin-polarized transport properties of Mn4O4 cluster

稀有金属（英文版）, 2015, 34(1): 45-50. doi: 10.1007/s12598-013-0176-0

Zhen-Xiang Dai ^1, , Gan-Hong Zheng ^2, , Bing Wang ^3, , Wei-Wei Wang ^4, , Yong-Qing Ma ^5, , Zhi Zeng ^6,

1.School of Physics and Materials Science, Anhui University,Hefei 230069,China

2.School of Physics and Materials Science, Anhui University,Hefei 230069,China

3.School of Physics and Materials Science, Anhui University,Hefei 230069,China

4.School of Physics and Materials Science, Anhui University,Hefei 230069,China

5.School of Physics and Materials Science, Anhui University,Hefei 230069,China

6.Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, China

基金项目: This work was financially supported by the National Natural Science Foundation of China (Nos.11204001,10804110,and 11174004),Anhui University Scientific Research Fund (Nos.06060283,2009QN006A,and 32030028),"211 Project" of Anhui University,Anhui Provincial Natural Science Foundation (Nos.1208085QA07 and 1308085MA04),the Major Project of Education Department in Anhui (No.06070241),and the Educational Commission (No.KJ2013A031).

First-principles calculations on spin-polarized transport properties of Mn4O4 cluster

Keywords： Cluster

参考文献

[1]	Hyunwook Song;Mark A. Reed;Takhee Lee .Single Molecule Electronic Devices[J].Advanced Materials,2011(14):1583-1608.
[2]	Jing-Xin Yu;Xiang-Rong Chen;Stefano Sanvito .Electronic transport across S_9 sulfur clusters[J].Physical review, B. Condensed matter and materials physics,2010(8):085415:1-085415:6.
[3]	Matsumoto T;Saito S .First-principles study of current-voltage characteristics of two-terminal carbon nanostructures[J].Physica, E. Low-dimensional systems & nanostructures,2005(3/4):560-563.
[4]	Dai ZX;Shi XQ;Zheng XH;Zeng Z .Effect of gating on the transport properties of a Si-4 cluster[J].Physical review, B. Condensed matter and materials physics,2006(4):5411-1-5411-7-0.
[5]	Dai ZX;Zheng XH;Shi XQ;Zeng Z .Effects of contact geometry on transport properties of a Si-4 cluster[J].Physical review, B. Condensed matter and materials physics,2005(20):5408-1-5408-9-0.
[6]	Dai ZX;Shi XQ;Zheng XH;Wang XL;Zeng Z .Ab initio investigations of the transport properties of a Ge-7 cluster[J].Physical review, B. Condensed matter and materials physics,2007(15):5402-1-5402-8-0.
[7]	Zheng XH;Shi XQ;Dai ZX;Zeng Z .Transport properties of the Au-32 cluster with fullerene symmetry[J].Physical review, B. Condensed matter and materials physics,2006(8):5418-1-5418-7-0.
[8]	Rocha AR;Garcia-Suarez VM;Bailey SW;Lambert CJ;Ferrer J;Sanvito S .Towards molecular spintronics[J].Nature materials,2005(4):335-339.
[9]	Tian Hong-Yu,Wang Jun.Spin-polarized transport in a normal/ferromagnetic/normal zigzag graphene nanoribbon junction[J].中国物理B（英文版）,2012(01):433-437.
[10]	M. Urdampilleta;S. Klyatskaya;J-P. Cleuziou .Supramolecular spin valves[J].Nature materials,2011(7):502-506.
[11]	Pederson MR.;Khanna SN. .Electronic structure and magnetism of Mn12O12 clusters[J].Physical Review.B.Condensed Matter,1999(2):R693-R696.
[12]	Taylor J.;Wang J.;Guo H. .Ab initio modeling of quantum transport properties of molecular electronic devices - art. no. 245407[J].Physical Review.B.Condensed Matter,2001(24):245407-1-245407-13.
[13]	Soler JM.;Artacho E.;Gale JD.;Garcia A.;Junquera J.;Ordejon P. Sanchez-Portal D. .The SIESTA method for ab initio order-N materials simulation[J].Journal of Physics. Condensed Matter,2002(11):2745-2779.
[14]	Taylor J.;Wang J.;Guo H. .Ab initio modeling of quantum transport properties of molecular electronic devices - art. no. 245407[J].Physical Review.B.Condensed Matter,2001(24):245407-1-245407-13.
[15]	Brandbyge M.;Mozos JL.;Ordejon P.;Taylor J.;Stokbro K. .Density-functional method for nonequilibrium electron transport - art. no. 165401[J].Physical Review.B.Condensed Matter,2002(16):5401-0.
[16]	Shreemoyee Ganguly;Mukul Kabir;Biplab Sanya1;Abhijit Mookerjee .Unusual structure and magnetism in manganese oxide nanoclusters[J].Physical review, B. Condensed matter and materials physics,2011(2):020411:1-020411:4.
[17]	E. Artacho;D. Sanchez-Portal;P. Ordejon;A. Garcia;J. M. Soler .Linear-Scaling ab-initio Calculations for Large and Complex Systems[J].Physica status solidi, B. Basic research,1999(1):809-817.
[18]	Zhang YK.;Yang WT. .Comment on "Generalized gradient approximation made simple"[J].Physical review letters,1998(4):890-0.

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First-principles calculations on spin-polarized transport properties of Mn4O4 cluster

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