Session R46: Electronic and Optical Properties of Semiconductors: First Principals

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Sponsoring Units: FIAP
Chair: Hai Ping Cheng, University of Florida
Baltimore Convention Center - 349


Wednesday, March 15, 2006
2:30PM - 2:42PM

R46.00001: Sequential Oxidation of Gallium Oxide Clusters - A First-Principles Study
S. Gowtham , Aurora Costales , Ravindra Pandey

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Wednesday, March 15, 2006
2:42PM - 2:54PM

R46.00002: Density Functional Band Gaps of AlAs
Hua Jin , Guanglin Zhao , Diola Bagayoko

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Wednesday, March 15, 2006
2:54PM - 3:06PM

R46.00003: The band gap of InN and ScN: a quasiparticle energy study based on exact-exchange density-functional theory
Patrick Rinke , Matthias Scheffler , Abdallah Qteish , J\"org Neugebauer

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Wednesday, March 15, 2006
3:06PM - 3:18PM

R46.00004: Calculated, Optical Proprieties of Wurtzite InN
Diola Bagayoko , Hua Jin , Guanglin Zhao

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Wednesday, March 15, 2006
3:18PM - 3:30PM

R46.00005: Predictions of Electronic and Optical Properties of Cubic InN
Lashounda Franklin , Hua Jin , G. L. Zhao , Diola Bagayoko

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Wednesday, March 15, 2006
3:30PM - 3:42PM

R46.00006: Band offsets of semiconductor heterostructures : dependence on density functionals
Amita Wadehra , Richard G. Hennig , John W. Wilkins , Gustavo E. Scuseria

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Wednesday, March 15, 2006
3:42PM - 3:54PM

R46.00007: All-Electron {\boldmath $GW$} Approximation in the Augmented-Plane-Wave Basis-Set Limit
Christoph Friedrich , Arno Schindlmayr , Stefan Bl\"ugel , Takao Kotani

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Wednesday, March 15, 2006
3:54PM - 4:06PM

R46.00008: Electronic transport in dilute GaAs:N
Geoffrey Stenuit , Stephen Fahy

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Wednesday, March 15, 2006
4:06PM - 4:18PM

R46.00009: Electronic band structure, crystal structure and phonons of ZnSiN$_2$
Tula R. Paudel , Walter R. L. Lambrecht

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Wednesday, March 15, 2006
4:18PM - 4:30PM

R46.00010: Electronic and magnetic properties of Cu-doped ZnO
Andreia Luisa da Rosa , Lunmei Huang , Rajeev Ahuja

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Wednesday, March 15, 2006
4:30PM - 4:42PM

R46.00011: Computational band-gap engineering in wide-gap MgO-ZnO alloys
R. Matt Leone , Gus L. W. Hart

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Wednesday, March 15, 2006
4:42PM - 4:54PM

R46.00012: Electronic Structure and Vibrational spectra of C$_2$B$_{10}$ Based Clusters and Films
L. L. Boyer , Kyungwha Park , M. R. Pederson , W. N. Mei , X. C. Zeng , S. Bulusu , Ellen Day , Shireen Adenwalla , Seamus Curran , James Dewald

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Wednesday, March 15, 2006
4:54PM - 5:06PM

R46.00013: Electron Distributions in Hexagonal Selenium and Tellurium and Monoclinic Selenium with Dilute Impurities and Associated Nuclear Quadrupole Interactions*.
N.B. Maharjan , D.D. Paudyal , D.R. Mishra , S. Byahut , M.M. Aryal , Hwa-Suck Cho , R.H. Scheicher , Lee Chow , Junho Jeong , T.P. Das**

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