Publications from the Department of Physics, Virginia Commonwealth University.

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Submissions from 2007

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Structure of SiAu(16): Can a silicon atom be stabilized in a gold cage?, Qiang Sun, Qian Wang, Gang Chen, and Puru Jena

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First-principles study of magnetic properties in V-doped ZnO, Qian Wang, Qiang Sun, Puru Jena, Zheng Hu, R. Note, and Y. Kawazoe

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Ab initio study of electronic and magnetic properties of the C-codoped Ga1−xMnxN (101¯0) surface, Q. Wang, Q. Sun, and Puru Jena

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Ferromagnetic to ferrimagnetic crossover in Cr-doped GaN nanohole arrays, Q. Wang, Q. Sun, Puru Jena, and Y. Kawazoe

Submissions from 2006

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Structure and stability of Co-n(pyridine)(m)(-) clusters: Absence of metal inserted structures, B. Douglas Edmonds, A. K. Kandalam, S. N. Khanna, X. Li, A. Grubisic, I. Khanna, and K. H. Bowen

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Structural, electronic, and chemical properties of multiply iodized aluminum clusters, N. O. Jones, J. Ulises Reveles, S. N. Khanna, D. E. Bergeron, P. J. Roach, and A. W. Castleman Jr.

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Hydrogen storage and the 18-electron rule, Boggavarapu Kiran, Anil K. Kandalam, and Puru Jena

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Gold as hydrogen: Structural and electronic properties and chemical bonding in Si3Au3+/0/- and comparisons to Si3H3+/0/-, Boggavarapu Kiran, Xi Li, Hua-Jin Zhai, and Lai-Sheng Wang

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Effect of Ti and metal vacancies on the electronic structure, stability, and dehydrogenation of Na3AlH6: Supercell band-structure formalism and gradient-corrected density-functional theory, S. Li and Puru Jena

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Dehydrogenation mechanism in catalyst-activated MgH2, S. Li, Puru Jena, and R. Ahuja

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Midinfrared intersubband absorption in ZnxCd1−xSe/Znx′Cdy′Mg1−x′−y′Se multiple quantum well structures, H. Lu, A. Shen, M. C. Tamargo, C. Y. Song, H. C. Liu, S. K. Zhang, R. R. Alfano, and M. Muñoz

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Structure and bonding of Au5M (M=Na, Mg, Al, Si, P, and S) clusters, Chiranjib Majumder, Anil K. Kandalam, and Puru Jena

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Determination of acceptor concentration in GaN from photoluminescence, Michael A. Reshchikov

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Strong suppression of the yellow luminescence in C-doped GaN in air ambient, Michael A. Reshchikov

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Electronic counting rules for the stability of metal-silicon clusters, J. Ulises Reveles and Shiv N. Khanna

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Effect of Au coating on the magnetic and structural properties of Fe nanoclusters for use in biomedical applications: A density-functional theory study, Q. Sun, A. K. Kandalam, Q. Wang, Puru Jena, Y. Kawazoe, and M. Marquez

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Subpicosecond time-resolved Raman studies of field-induced transient transport in an InxGa1−xAs-based p-i-n semiconductor nanostructure, K. T. Tsen, Juliann G. Kiang, D. K. Ferry, and Hadis Morkoç

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Ferromagnetism in Al1−xCrxN thin films by density functional calculations, Q. Wang, A. K. Kandalam, Q. Sun, and Puru Jena

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Clustering of Cr in GaN nanotubes and the onset of ferrimagnetic order, Q. Wang, Q. Sun, Puru Jena, and Y. Kawazoe

Submissions from 2005

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Role of titanium in hydrogen desorption in crystalline sodium alanate, C. Moysés Araújo, Rajeev Ahuja, J. M. Osorio Guillén, and Puru Jena

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Vacancy-mediated hydrogen desorption in NaAlH4, C. Moysés Araújo, S. Li, R. Ahuja, and Puru Jena

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Evolution of the electronic structure of Be clusters, V. Cerowski, B. K. Rao, S. K. Khanna, P. Jena, Soh Ishii, Kaoru Ohno, and Yoshiyuki Kawazoe

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Spectroscopy and carrier dynamics in CdSe self-assembled quantum dots embedded in ZnxCdyMg1−x−ySe, G. Comanescu, W. B. Wang, S. Gundry, B. Das, R. R. Alfano, M. N. Perez-Paz, M. C. Tamargo, M. Muñoz, I. Popov, and L. L. Isaacs

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Effects of hydrogen on the morphology and electrical properties of GaN grown by plasma-assisted molecular-beam epitaxy, Y. Dong, R. M. Feenstra, D. W. Greve, J. C. Moore, M. D. Sievert, and A. A. Baski

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Structural growth in iron oxide clusters: Rings, towers, and hollow drums, N. O. Jones, B. V. Reddy, F. Rasouli, and Shiv N. Khanna