Volume 1370, Issue 1 | MRS Online Proceedings Library

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Volume 1370, Issue 1

December 2011

Symposium YY — Computational Semiconductor Materials Science

Issue Editors:

S-H Wei,
A. Rubio,
H. Guo,
L. Liu

18 articles in this issue

Electronic Structure of O-vacancy in High-k Dielectrics and Oxide Semiconductors
Kee Joo Chang
Byungki Ryu
Eun-Ae Choi
Article 01 August 2011 Pages: 3 - 14
First Principles Predictions of Intrinsic Defects in Aluminum Arsenide, AlAs
Peter A. Schultz
Article 01 August 2011 Pages: 15 - 20
The Absorption of Diamondoids from Time-dependent Density Functional Calculations
Márton Vörös
Tamás Demjén
Adam Gali
Article 01 August 2011 Pages: 23 - 28
Second-Harmonic Generation Spectroscopy from Time-Dependent Density-Functional Theory
E. Luppi
H. Hübener
V. Véniard
Article 01 August 2011 Pages: 29 - 34
Electronic Structure and Optical Absorption of Fluorographene
Yufeng Liang
Li Yang
Article 01 August 2011 Pages: 37 - 45
Multiscale Modeling of a Quantum Dot Heterostructure
P. Sengupta
S. Lee
G. Klimeck
Article 01 August 2011 Pages: 47 - 52
Structural, Electronic and Defect Properties of Cu₂ZnSn(S,Se)₄ Alloys
Shiyou Chen
Xin-Gao Gong
Su-Huai Wei
Article 01 August 2011 Pages: 55 - 66
Magnetic Properties of Polar ZnO Surfaces from Ab-initio Calculations
Guntram Fischer
Nadiezhda Sanchez
M. Carmen Muñoz
Article 01 August 2011 Pages: 69 - 74
Electronic Excitation Induced Solid-State Amorphization in Ge-Sb-Te Alloy
Xian-Bin Li
X. Q. Liu
S. B. Zhang
Article 01 August 2011 Pages: 77 - 82
Defect-free and Defective Surfaces of the Pyrochlore Oxide La₂Zr₂O₇: A Theoretical Study
Yves A. Mantz
Article 01 August 2011 Pages: 83 - 88
First Principles Analysis of Ultra-Thin Silicon Films with Dimer Structures
Eiji Kamiyama
Koji Sueoka
Article 01 August 2011 Pages: 89 - 96
Ferromagnetism in undoped semiconductors
Yandong Ma
Ying Dai
Baibiao Huang
Article 01 August 2011 Pages: 99 - 103
Effects of direct lateral Current Injection on the Performance, Overall Efficiency and Emission Distribution in GaN LED structures: a 2D Computational Study
Pyry Kivisaari
Jani Oksanen
Jukka Tulkki
Article 01 August 2011 Pages: 105 - 111
Density-Functional Theory Study of Hydrogen Induced Platelets in Silicon
Liviu Bîlteanu
Jean-Paul Crocombette
Article 01 August 2011 Pages: 113 - 118
Temperature Induced Evolution of Bond-Centered Hydrogen (BCH) Defects in Crystalline Silicon: Dynamical, Electronic, Vibrational and Optical Signatures
Zahraa A. Ibrahim
Anatoli I. Shkrebtii
Franco Gaspari
Article 01 August 2011 Pages: 119 - 124
Temperature Dependent Optical Response of Si(100): Theory vs. Experiment
A. I. Shkrebtii
J. Heron
Y. Borensztein
Article 01 August 2011 Pages: 125 - 130
Electronic Structure Calculations Using A Modified Thomas-Fermi Approximation
Gregory C. Dente
Michael Tilton
Article 01 August 2011 Pages: 131 - 136
Electron position: jumping in double concentric quantum rings
I. Filikhin
S. Matinyan
B. Vlahovic
Article 01 August 2011 Pages: 137 - 142