Highly efficient (Cs8V) superatom-based spin-polarizer

作者: Haiying He , Ravindra Pandey , J. Ulises Reveles , Shiv N. Khanna , Shashi P. Karna

DOI: 10.1063/1.3259646

关键词:

摘要: Quantum transport through molecules and the possibility to manipulate spin has generated tremendous excitement. Here, we demonstrate unusual a molecule of two Cs8V magnetic superatoms. Calculations based on density functional theory nonequilibrium Green’s function methods find much higher current for spin-down charge carriers relative spin-up in model Au–(Cs8V)–(Cs8V)–Au device system with almost 100% polarization, indicating highly efficient polarizer. The new behavior is rooted strong coupling localized core V itinerant electrons Cs shell atoms leading nearly full polarization.

参考文章(22)
A. Welford Castleman, Shiv N. Khanna, Ayusman Sen, Arthur C. Reber, Meichun Qian, Kevin M. Davis, Samuel J. Peppernick, Angel Ugrinov, Mark D. Merritt, From designer clusters to synthetic crystalline nanoassemblies. Nano Letters. ,vol. 7, pp. 2734- 2741 ,(2007) , 10.1021/NL071224J
Ewald Janssens, Sven Neukermans, Peter Lievens, Shells of electrons in metal doped simple metal clusters Current Opinion in Solid State & Materials Science. ,vol. 8, pp. 185- 193 ,(2004) , 10.1016/J.COSSMS.2004.09.002
J. Ulises Reveles, Peneé A. Clayborne, Arthur C. Reber, Shiv N. Khanna, Kalpataru Pradhan, Prasenjit Sen, Mark R. Pederson, Designer magnetic superatoms Nature Chemistry. ,vol. 1, pp. 310- 315 ,(2009) , 10.1038/NCHEM.249
J. U. Reveles, S. N. Khanna, P. J. Roach, A. W. Castleman, Multiple valence superatoms. Proceedings of the National Academy of Sciences of the United States of America. ,vol. 103, pp. 18405- 18410 ,(2006) , 10.1073/PNAS.0608781103
Jens Hartig, Anna Stößer, Petra Hauser, Hansgeorg Schnöckel, A metalloid [Ga23{N(SiMe3)2}11] cluster: the Jellium model put to test. Angewandte Chemie. ,vol. 46, pp. 1658- 1662 ,(2007) , 10.1002/ANIE.200604311
D. M. Ceperley, B. J. Alder, Ground state of the electron gas by a stochastic method Physical Review Letters. ,vol. 45, pp. 566- 569 ,(1980) , 10.1103/PHYSREVLETT.45.566
Denis E Bergeron, A Welford Castleman Jr, Tsuguo Morisato, Shiv N Khanna, Formation of Al13I-: evidence for the superhalogen character of Al13. Science. ,vol. 304, pp. 84- 87 ,(2004) , 10.1126/SCIENCE.1093902
A. R. Rocha, V. M. García-Suárez, S. Bailey, C. Lambert, J. Ferrer, S. Sanvito, Spin and molecular electronics in atomically generated orbital landscapes Physical Review B. ,vol. 73, pp. 085414- ,(2006) , 10.1103/PHYSREVB.73.085414
DE Bergeron, PJ Roach, AW Castleman Jr, NO Jones, SN Khanna, Al Cluster Superatoms as Halogens in Polyhalides and as Alkaline Earths in Iodide Salts Science. ,vol. 307, pp. 231- 235 ,(2005) , 10.1126/SCIENCE.1105820
A. W. Castleman, S. N. Khanna, Clusters, Superatoms, and Building Blocks of New Materials† Journal of Physical Chemistry C. ,vol. 113, pp. 2664- 2675 ,(2009) , 10.1021/JP806850H