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Our group uses first principles computational methods to attack topical and fundamental questions in condensed matter theory and materials physics/chemistry. Present topics of interest include:
A. Malashevich, S. Ismail-Beigi, and E. I. Altman, “Directing the Structure of Two-Dimensional Silica and Silicates,” Journal of Physical Chemistry C 120, no. 47, pp. 26770-26781 (2016). DOI: 10.1021/acs.jpcc.6b07008
Arvin Kakekhani and Sohrab Ismail-Beigi, “Ferroelectric oxide surface chemistry: water splitting via pyroelectricity”, Journal of Materials Chemistry A, 4, 5235 (2016). DOI 10.1039/C6TA00513F
A. S. Disa, D. P. Kumah, A. Malashevich, H. Chen, D. A. Arena, E. D. Specht, S. Ismail-Beigi, F. J. Walker, and C. H. Ahn, “Orbital Engineering in Symmetry-Breaking Polar Heterostructures”, Physical Review Letters 114, 026801 (2015).
Alexandru B. Georgescu and Sohrab Ismail-Beigi, “Generalized slave-particle method for extended Hubbard models”, Physical Review B 92, 235117 (2015). DOI 10.1103/PhysRevB.92.235117.
Xiaokai Li, Louise M. Guard, Jie Jiang, Kelsey Sakimoto, Jing-Shun Huang, Jianguo Wu, Jinyang Li, Lianqing Yu, Ravi Pokhrel, Gary W. Brudvig, Sohrab Ismail-Beigi, Nilay Hazari, and Andre D. Taylor, “Controlled Doping of Carbon Nanotubes with Metallocenes for Application in Hybrid Carbon Nanotube/Si Solar Cells”, Nano Letters 14, 3388 (2014).
H. Chen and S. Ismail-Beigi, “Ferroelectric control of magnetization in La1−xSrxMnO3 manganites: A first-principles study”, Physical Review B 86, 024433 (2012).
H. Tang and S. Ismail-Beigi, “Novel Precursors for Boron Nanotubes: The Competition of Two-Center and Three-Center Bonding in Boron Sheets”, Physical Review Letters 99, 115501 (2007).
S. Ismail-Beigi and S. G. Louie, “Self-trapped Excitons in Silicon Dioxide: Mechanisms and Properties”, Physical Review Letters 95, 156401 (2005).
- A. M. Kolpak, F. J. Walker, J. W. Reiner, C. H. Ahn, and S. Ismail-Beigi, “Ferroelectric Devices including a Layer having Two or More Stable Configurations”, US Patent App. No.: PCT/US2010/002642 (2010).