Selected Publications

2011

A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections
Bleiholder, C., Wyttenbach, T., & Bowers, M. T. (2011). A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections. Int. J. Mass Spectrom, -, in press.
The Particle-Size Dependence of the Activation Energy for Decomposition of Lithium Amide.
Hoang, K., Janotti, A., & Van de Walle, C. G. (2011). The Particle-Size Dependence of the Activation Energy for Decomposition of Lithium Amide. Angewandte Chemie International Edition, -, in press.
Population-Based Resequencing of Experimentally Evolved Populations Reveals the Genetic Basis of Body Size Variation in Drosophila melanogaster
TL, T., AD, S., AT, F., WR, R., & AM, T. (2011). Population-Based Resequencing of Experimentally Evolved Populations Reveals the Genetic Basis of Body Size Variation in Drosophila melanogaster. Plos Genet 7(3): E1001336. Doi:10.1371/Journal.pgen.1001336, 7(3), e1001336.
Reverse Monte Carlo neutron scattering study of the\textquoterightordered-ice\textquoterightoxide pyrochlore Pb2Ru2O6
Shoemaker, D. P., Llobet, A., Tachibana, M., & Seshadri, R. (2011). Reverse Monte Carlo neutron scattering study of the\textquoterightordered-ice\textquoterightoxide pyrochlore Pb2Ru2O6. Journal Of Physics: Condensed Matter, 23(31), 315404.
The role of oxygen-related defects and hydrogen impurities in HfO2 and ZrO2
Janotti, A., & Van de Walle, C. G. (2011). The role of oxygen-related defects and hydrogen impurities in HfO2 and ZrO2. Microelectronic Engineering, 88(7), 1452-1456.
Self-consistent field simulations of self- and directed-assembly in a mixed polymer brush
Hur, S., Frischknecht, A. L., Huber, D. L., & Fredrickson, G. H. (2011). Self-consistent field simulations of self- and directed-assembly in a mixed polymer brush. Soft Mater., 7, 8776.
Strain effects on the electronic structure of SrTiO3: Toward high electron mobilities
Janotti, A., Steiauf, D., & Van de Walle, C. G. (2011). Strain effects on the electronic structure of SrTiO3: Toward high electron mobilities. Phys. Rev. B, 84, 201304.
Stress-induced R-MA-MC-T symmetry changes in BiFeO3 films
Christen, H. M., Nam, J. H., Kim, H. S., Hatt, A. J., & Spaldin, N. A. (2011). Stress-induced R-MA-MC-T symmetry changes in BiFeO3 films. Phys. Rev. B, 83, 144107.
Tin dioxide from first principles: Quasiparticle electronic states and optical properties
Schleife, A., Varley, J. B., Fuchs, F., Rödl, C., Bechstedt, F., Rinke, P., et al. (2011). Tin dioxide from first principles: Quasiparticle electronic states and optical properties. Phys. Rev. B, 83, 35116.
Towards inverse modeling of turbidity currents: the inverse lock-exchange problem
Lesshafft, L., Meiburg, E., Kneller, B., & Marsden, A. (2011). Towards inverse modeling of turbidity currents: the inverse lock-exchange problem. Computers \& Geosciences, 37, 521\textendash529. https://doi.org/10.1016/j.cageo.2010.09.015 (Original work published 04/2011 C.E.)

2010

Alternative sources of p-type conduction in acceptor-doped ZnO
Limpijumnong, S., Gordon, L., Miao, M., Janotti, A., & Van de Walle, C. G. (2010). Alternative sources of p-type conduction in acceptor-doped ZnO. Appl. Phys. Lett., 97, 72112.
Band bowing and band alignment in InGaN alloys
Moses, P. G., & Van de Walle, C. G. (2010). Band bowing and band alignment in InGaN alloys. Appl. Phys. Lett., 96, 21908.
Carbon impurities and the yellow luminescence in GaN
Lyons, J. L., Janotti, A., & Van de Walle, C. G. (2010). Carbon impurities and the yellow luminescence in GaN. Appl. Phys. Lett., 97, 152108.
Computational study of the dielectric properties of [La,Sc]2O3 solid solutions
Momida, H., Cockayne, E., Umezawa, N., & Ohno, T. (2010). Computational study of the dielectric properties of [La,Sc]2O3 solid solutions. Journal Of Applied Physics, 107, 74104.
Controlling the conductivity of InN
Van de Walle, C. G., Lyons, J. L., & Janotti, A. (2010). Controlling the conductivity of InN. Physica Status Solidi (A), 207, 1024.
Determination of Internal Loss in Nitride Lasers from First Principles
Kioupakis, E., Rinke, P., & Van de Walle, C. G. (2010). Determination of Internal Loss in Nitride Lasers from First Principles. Applied Physics Express, 3, 82101.
Diffraction-limited high-finesse optical cavities
Kleckner, D., Irvine, W. T. M., Oemrawsingh, S. S. R., & Bouwmeester, D. (2010). Diffraction-limited high-finesse optical cavities. Physical Review A, 81, 043814. https://doi.org/10.1103/PhysRevA.81.043814 (Original work published 04/2010 C.E.)
Distributed surface donor states and the two-dimensional electron gas at AlGaN/GaN heterojunctions
Gordon, L., Miao, M. -S., Chowdhury, S., Higashiwaki, M., Mishra, U. K., & Van de Walle, C. G. (2010). Distributed surface donor states and the two-dimensional electron gas at AlGaN/GaN heterojunctions. Journal Of Physics D, 43, 505501.
Dynamic Simulations of Multicomponent Lipid Membranes over Long Length and Time Scales
Camley, B. A., & Brown, F. L. H. (2010). Dynamic Simulations of Multicomponent Lipid Membranes over Long Length and Time Scales. Phys. Rev. Lett., 105, 148102.
Effects of capping HfO2 with multivalent oxides toward reducing the number of charged defects
Umezawa, N. (2010). Effects of capping HfO2 with multivalent oxides toward reducing the number of charged defects. Appl. Phys. Lett., 96, 162906.