Sohrab Ismail-Beigi

Our group uses first principles computational methods to attack topical and fundamental questions in condensed materials theory and materials physics. Present topics of interest include:

• Semiconductor-oxide interfaces: growth strategies and resulting structures, electronic/chemical/mechanical properties, engineering interfaces for desired technological applications
   
• Understanding and controlling chemistry and catalysis at transition metal oxide surfaces and interfaces
   
• (Transition metal) oxide-oxide interfaces: electronic and atomic reconstructions
   
• Electronic, mechanical, and structural properties of nanomaterials: nanotubes, nanowires, 2D systems, and clusters (carbon, GaN, boron and metal borides, etc.)
   
• Development of improved exchange and correlation models for complex oxides
   
• Optical properties of nanostructures, molecules, and defects in solids
   
• Photo-induced structural change in nanostructures, molecules, and defects in solids

You can find more details of our research group regarding research activities, publications, group members, and recent news by visiting the Ismail-Beigi research group website.

• 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).

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