Session Index

Session P21: Computational Study of Semiconductor Band Structures

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Abstracts
Sponsoring Units: FIAP DCMP
Chair: Chris Van de Walle, University of California, Santa Barbara
Room: 323


Wednesday, March 18, 2009
8:00AM - 8:12AM

P21.00001: First-Principles determination of deformation potentials in nitrides
Qimin Yan , Patrick Rinke , Matthias Scheffler , Chris G. Van de Walle

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Wednesday, March 18, 2009
8:12AM - 8:24AM

P21.00002: Band-gap bowing, band offsets, and electron affinity for InGaN alloys: A DFT study.
Poul Moses , Chris Van de Walle

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Wednesday, March 18, 2009
8:24AM - 8:36AM

P21.00003: A Hybrid Look at Band Offsets in AlN/GaN Heterostructures
Jeremy Nicklas , John Wilkins

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Wednesday, March 18, 2009
8:36AM - 8:48AM

P21.00004: Reassessing the Description of the Electronic Structure of a Semiconductor Alloy
Yong Zhang , A. Mascarenhas , L.-W. Wang

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Wednesday, March 18, 2009
8:48AM - 9:00AM

P21.00005: \textit{Ab initio} study of the optical properties of Si-XII
Brad Malone , Jay Sau , Marvin Cohen

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Wednesday, March 18, 2009
9:00AM - 9:12AM

P21.00006: First-Principles Hartree-Fock Study of Locations and Hyperfine Interactions of Transition Metal Impurities in Silicon
R.H. Pink , S.R. Badu , Archana Dubey , R.H. Scheicher , Lee Chow , M.B. Huang , T.P. Das

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Wednesday, March 18, 2009
9:12AM - 9:24AM

P21.00007: Theoretical analysis on the effect of tip-induced band bending on scanning tunneling spectroscopy measurements on H-terminated Si(100) surface
Hideomi Totsuka , Satoshi Watanabe

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Wednesday, March 18, 2009
9:24AM - 9:36AM

P21.00008: Band gaps and band offsets in the SiO$_2$/Si interface calculated by including the self-energy of electrons and holes
Luiz Ferreira , Leonardo Fonseca , Mauro Ribeiro, Jr.

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Wednesday, March 18, 2009
9:36AM - 9:48AM

P21.00009: The influence of pressure on defects in amorphous silicon
Jeffrey Grossman , Lucas Wagner

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Wednesday, March 18, 2009
9:48AM - 10:00AM

P21.00010: Ab initio calculations of the dielectric functions of semiconductors and alloys including excitonic effect via LASTO method
Hyejung Kim , Yia-Chung Chang

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Wednesday, March 18, 2009
10:00AM - 10:12AM

P21.00011: The Electronic and Optical Properties of Manganese-doped Wurtzite ZnO
Yiming Mi , Xinxin Zhao , Shuichi Iwata

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Wednesday, March 18, 2009
10:12AM - 10:24AM

P21.00012: Electronic Structures of Zn(Te,O)
Byounghak Lee , Lin-Wang Wang

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Wednesday, March 18, 2009
10:24AM - 10:36AM

P21.00013: Dielectric Function and Critical Point of GeSbTe Pseudo-binary Compound Thin Films
Hosun Lee , Jun-Woo Park , Youn-Seon Kang , Tae-Yon Lee , Dong-Seok Suh , Ki-Joon Kim , Cheol Kyu Kim , Yoon Ho Kang , Juarez L. F. Da Silva

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Wednesday, March 18, 2009
10:36AM - 10:48AM

P21.00014: Origin of the unusually large band gap bowing and the breakdown of the band-edge distribution rule in the SnxGe1-x alloys
Wan-Jian Yin , Xin-Gao Gong , Su-Huai Wei

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Wednesday, March 18, 2009
10:48AM - 11:00AM

P21.00015: Accurate electronic structure calculations of lead chalcogenides by QSGW method
Sergey Faleev , Oleg Mryasov

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