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Publications

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L. Wang, K. Umemoto, R.M. Wentzcovitch, T.Y. Chen, C.L. Chien, J.G. Checkelsky, J.C. Eckert, E.D. Dahlberg and C. Leighton, “Co1-xFexS2: a tunable source of highly spin-polarized electrons,” Phys. Rev. Lett. (submitted)

W.G. Zhu, H.H. Weitering, E.G. Wang EG, E. Kaxiras, and Z. Zhang, “Contrasting growth modes of Mn on Ge(100) and Ge(111) surfaces: Subsurface segregation versus intermixing,” Phys. Rev. Lett. 93, 126102 (2004).

Y. Mo, K. Varga, E. Kaxiras, and Z. Zhang, “Kinetic pathway for the formation of Fe nanowires on stepped Cu(111) surfaces,” Phys. Rev. Lett. (submitted)

E. L. de la Grandmaison, S.B. Gowda, Y. Saad, M.Tiago, and J.R. Chelikowsky, “An Efficient Computation of the Coupling Matrix in Time Dependent Density Functional Theory,” Comp. Phys. Comm. (submitted)

S. Li, M.M.G. Alemany and J.R. Chelikowsky, “Ab initio calculations for the photoelectron spectra of vanadium clusters,” J. Chem. Phys. 121, 5893 (2004).

L. Kronik, M. Jain, and J.R. Chelikowsky: “Electronic structure and spin-polarization of MnGaP,” Appl. Phys. Lett. 85, 2014 (2004).

G. Nesher, L. Kronik and J.R. Chelikowsky: “Ab initio absorption spectra of Ge nanocrystals,” Phys. Rev. B, (in press).

X. Huang, E. Lindgren and J.R. Chelikowsky: “Passivating semiconductor nanostructures,” Phys. Rev. B. (submitted)

J.R. Chelikowsky and Y. Saad: “Electronic Structure of Clusters and Nanocrystals, Handbook of Theoretical and Computational Nanotechnology,” Editors: Michael Rieth and Wolfram Schommers. (American Scientific), in press. — 2.1 MB

D. Melnikov and J.R. Chelikowsky: “Quantum Confinement in Phosphorus Doped Silicon Nanocrystals” Phys. Rev. Lett. 92, 046802 (2004). — 340 KB

M.M.G. Alemany, M. Jain, J.R. Chelikowsky and L. Kronik: “A real space pseudopotential method for computing the electronic properties of periodic systems,” Phys. Rev. B (in press). — 338 KB

E. Ko, M. M. G. Alemany and J.R. Chelikowsky, “Viscosities of liquid CdTe near melting point from ab initio molecular dynamics calculations,” J. Chem. Phys. (submitted). — 258 KB

S. Ogut and J.R. Chelikowsky, “Charge State Dependent Jahn-Teller Distortions of the E-Center Defect in Crystalline Si,” Phys. Rev. Lett. 91, 235503 (2003). — 111 KB