Publications from the Department of Physics, Virginia Commonwealth University.

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Submissions from 2005

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First-principles study of the onset of noncollinearity in Mnn clusters: Magnetic arrangements in Mn5 and Mn6, T. Morisato, Shiv N. Khanna, and Y. Kawazoe

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Nearly-free-electron gas in a silicon cage, J. Ulises Reveles and Shiv N. Khanna

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Electroreflectance spectroscopy in self-assembled quantum dots: lens symmetry, A. H. Rodríguez, C. Trallero-Giner, Martín Muñoz, and María C. Tamargo

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Electroreflectance spectroscopy in self-assembled quantum dots: lens symmetry, A. H. Rodríguez, C. Trallero-Giner, Martín Muñoz, and María C. Tamargo

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Ab initio study of ferromagnetism in Ga1−xCrxN thin films, Qin Wang, Q. Sun, Puru Jena, J. Z. Yu, R. Note, and Y. Kawazoe

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First-principles study of ferromagnetic coupling in Zn1-xCrxTe thin film, Q. Wang, Q. Sun, P. Jena, and Y. Kawazoe

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Magnetic coupling between Cr atoms doped at bulk and surface sites of ZnO, Q. Wang, Q. Sun, Puru Jena, and Y. Kawazoe

Submissions from 2004

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Formation and properties of halogenated aluminum clusters, D. E. Bergeron, A. W. Castleman Jr., T. Morisato, and S. N. Khanna

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Ferromagnetism in Cr-doped GaN: A first-principles calculation, G. P. Das, B. K. Rao, and Puru Jena

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Periodic table of 3d-metal dimers and their ions, G. L. Gutsev, M. D. Mochena, P. Jena, C. W. Bauchlicher Jr., and H. Partridge III

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Hydrogen adsorption and magnetic behavior of Fen and Con clusters: Controlling the magnetic moment and anisotropy one atom at a time, N. O. Jones, M. R. Beltran, Shiv N. Khanna, T. Baruah, and M. R. Pederson

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Magnetic isomers and local moment distribution in Mn5O and Mn6O clusters, N. O. Jones, Shiv N. Khanna, T. Baruah, M. R. Pederson, W.-J. Zheng, J. M. Nilles, and K. H. Bowen

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Classical Stern-Gerlach profiles of Mn5 and Mn6 clusters, N. O. Jones, Shiv N. Khanna, Tunna Baruah, and M. R. Pederson

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Geometry and electronic structure of V-n(Bz)(m) complexes, Anil K. Kandalam, B. K. Rao, P. Jena, and Ravindra Pandey

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Spectroscopic signature of magnetic bistability in Mn2OÀ anions and its implications for piezomagnetism at the nanoscale, Shiv N. Khanna, Puru Jena, W.-J. Zheng, J. M. Nilles, and K. H. Bowen

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Interactions of Au cluster anions with oxygen, Qiang Sun, Puru Jena, Young Dok Kim, Matthias Fischer, and Gerd Ganteför

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Appearance of bulk properties in small tungsten oxide clusters, Q. Sun, B. K. Rao, P. Jena, D. Stolcic, Y. D. Kim, Gerd Gantefor, and A. W. Castleman Jr.

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Metastability of a gold nanoring: Density-functional calculations, Q. Sun, Q. Wang, Puru Jena, R. Note, J-Z. Yu, and Y. Kawazoe

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First-principles study of magnetism in (112̄0) Zn1−xMnxO thin film, Q. Wang and Puru Jena

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Carrier-mediated ferromagnetism in N codoped (Zn,Mn)O (101¯0) thin films, Q. Wang, Q. Sun, Puru Jena, and Y. Kawazoe

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Magnetism and energetics of Mn-Doped ZnO (101¯0) thin films, Q. Wang, Q. Sun, B. K. Rao, and Puru Jena

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Energetics and local spin magnetic moment of single 3,4d impurities encapsulated in an icosahedral Au12 cage, Shan-Ying Wang, Jing-Zhi Yu, Hiroshi Mizuseki, Qiang Sun, Chong-Yu Wang, and Yoshiyuki Kawazoe

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Competition between linear and cyclic structures in monochromium carbide clusters CrCn- and CrCn (n=2-8): A photoelectron spectroscopy and density functional study, Hua-Jin Zhai, Lai-Sheng Wang, P. Jena, G. L. Gutsev, and C. W. Bauschlicher Jr.

Submissions from 2003

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H-substituted anionic carbon clusters CnH- (n <= 10): Density functional studies and experimental observations, L. Pan, B. K. Rao, A. K. Gupta, G. P. Das, and P. Ayyub

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Magnetic properties of Al, V, Mn, and Ru impurities in Fe–Co alloys, B. V. Reddy, S. C. Deevi, and S. N. Khanna