有机磁体中极化子漂移的动力学模拟
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摘要
采用一维紧束缚模型,研究了一维有机磁性聚合物中极化子在外加电场下漂移的动力学行为.计算结果表明:侧基和主链电子的自旋耦合使得侧基悬挂格点上电子的在位能升高(或降低),作为一个势垒(势井)阻碍极化子的运动.当驱动电场大于某临界值时,极化子会突破势垒(势井)的束缚,在磁性聚合物分子内自由漂移.磁性聚合物分子中的自旋反转因素可以通过调节极化子自旋降低临界电场.
The dynamical properties of polaron drift with external driven electric field in organic magnetic polymers are investigated base on a one-dimensional tight-binding model. The results indicate that the spin correlation of electrons between the main chain and the side radicals raises(or drops) the electron energy on the sites which side radical connects. This produces a potential barrier(or potential well) on the site to stop the polaron from drifting along the chain unless the driven electric field is larger than the critical value. On the other hand, the spin flip mechanisms in organic magnetic polymers can adjust the strength of the critical electric field by influencing the spin of polaron and other electrons on the main chain.
The dynamical properties of polaron drift with external driven electric field in organic magnetic polymers are investigated base on a one-dimensional tight-binding model. The results indicate that the spin correlation of electrons between the main chain and the side radicals raises(or drops) the electron energy on the sites which side radical connects. This produces a potential barrier(or potential well) on the site to stop the polaron from drifting along the chain unless the driven electric field is larger than the critical value. On the other hand, the spin flip mechanisms in organic magnetic polymers can adjust the strength of the critical electric field by influencing the spin of polaron and other electrons on the main chain.
引文
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[3]MILLER J S,EPSTEIN A J,REIFF W M.Molecular/Organic Ferromagnets[J].Science 1988,240(4848):40-47.
[4]Khasanov S S,Pérez-Benítez A,Narymbetov B Z,Zorina L V,Shibaeva R P,Singleton J,Klehe A K,Laukhin V N,Vidal-Gancedo J,Veciana J,Canadell E,Rovira C.Interesting transport and magnetic properties in a new family of molecular materials based on the organic donor BET-TTF and the perrhenate anion Electronic supplementary information(ESI)available:overlap modes of the radical cations of1–3[J].Journal of Materials Chemistry 2002,12(3):432-441.
[5]Miller J S,Epstein A J.Organometallic magnets[J].Coordination Chemistry Reviews 2000,206–207(0):651-660.
[6]Manriquez J M,Gordon T Y,Mc Lean R S,Epstein A J,Miller J S.A Room-Temperature Molecular/OrganicBased Magnet[J].Science 1991,252(5011):1415-1417.
[7]Korshak Y V,Medvedeva T V,Ovchinnikov A A,Spector VN.Organic polymer ferromagnet[J].Nature1987,326(6111):370-372.
[8]Cao Y,Wang P,Hu Z,Li S,Zhang L,Zhao J.Chemical and magnetic characterization of organic ferromagnetpoly-bipo[J].Synthetic Metals 1988,27(3–4):625-630.
[9]Rajca A,Wongsriratanakul J,Rajca S.Magnetic Ordering in an Organic Polymer[J].Science 2001,294(5546):1503-1505.
[10]A Alberola a MP.Rational Approaches to Organic Ferromagnets Based on Neutral Radicals Appended to Organosulfur Donors[J].Current Organic Synthesis2009,6(1):66-78.
[11]Katulevskii Y A,Magrupov M A,Muminov A A.A new magnetic material:Organic ferromagnet of pyrolysed polyacrylonitrile[J].physica status solidi(a)1991,127(1):223-229.
[12]Sugano T,Blundell S J,Lancaster T,Pratt F L,Mori H.Magnetic order in the purely organic quasi-onedimensional ferromagnet 2-benzimidazolyl nitronyl nitroxide[J].Physical Review B 2010,82(18):180401.
[13]Ovchinnikov A A,Spector V N.Organic ferromagnets.New results[J].Synthetic Metals 1988,27(3–4):615-624.
[14]Fang Z,Liu Z L,Yao K L.Theoretical model and numerical calculations for a quasi-one-dimensional organic ferromagnet[J].Physical Review B 1994,49(6):3916-3919.
[15]Fang Z,Liu Z L,Yao K L,Li Z G.Spin configurations ofπelectrons in quasi-one-dimensional organic ferromagnets[J].Physical Review B 1995,51(2):1304-1307.
[16]Xie S J,Zhao J Q,Wei J H,Wang S G,Mei L M,Han S H.Effect of boundary conditions on SDW and CDW in organic ferromagnetic chains[J].EPL(Europhysics Letters)2000,50(5):635.
[17]Hu G C,Wang H,Ren J F,Xie S J,Timm C.Spin-charge disparity of polarons in organic ferromagnets[J].Organic Electronics 2014,15(1):118-125.
[18]Yoo J W,Edelstein R S,Lincoln D M,Raju N P,Xia C,Pokhodnya K I,Miller J S,Epstein A J.Multiple Photonic Responses in Films of Organic-Based Magnetic Semiconductor V(TCNE)x,x~2[J].Physical Review Letters 2006,97(24).
[19]Li B,Zhou M,Lu Y,Kao C Y,Yoo J W,Prigodin V N,Epstein A J.Effect of organic spacer in an organic spin valve using organic magnetic semiconductor[J].Organic Electronics 2012,13(7):1261-1265.
[20]Sugawara T,Minamoto M,Matsushita M M,Nickels P,Komiyama S.Cotunneling current affected by spin-polarized wire molecules in networked gold nanoparticles[J].Physical Review B 2008,77(23).
[21]Nickels P,Matsushita M M,Minamoto M,Komiyama S,Sugawara T.Controlling Co-tunneling currents in nanoparticle networks using spin-polarized wire molecules[J].Small 2008,4(4):471-475.
[22]Wang W Z.Model of a gate-controlled spin filter based on a polymer coupled to a quantum wire[J].Physical Review B 2006,73(23).
[23]Hu G,Guo Y,Wei J,Xie S.Spin filtering through a metal/organic-ferromagnet/metal structure[J].Physical Review B 2007,75(16).
[24]Hu G,He K,Xie S,Saxena A.Spin-current rectification in an organic magnetic/nonmagnetic device[J].J Chem Phys 2008,129(23):234708.
[25]Hu G C,Zhang G P,Ren J F,Wang C K,Xie S J.Length-dependent inversion of rectification in diblock co-oligomer diodes[J].Applied Physics Letters 2011,99(8):082105.
[26]Hu G C,Wang H,Ren J F.Effect of proportion on rectification in organic co-oligomer spin rectifiers[J].Chinese Physics B 2011,20(7):077306.
[27]Wang H,Kong X R,Cui B,Li D M,Gao K,Li Y,Liu D S.Simulations of polaron spin inversion in an organic semiconductor:Comparison of two mechanisms[J].Organic Electronics 2015,23:57-63.
[28]Johansson A A,Stafstrm S.Nonadiabatic simulations of polaron dynamics[J].Physical Review B2004,69(23).