Sohrab Ismail-Beigi

Strathcona Professor of Applied Physics, and Professor

of Mechanical Engineering & Materials Science and Physics

Department Chair

Group Website:

Research Group

CRISP Center

Office Address:

15 Prospect Street, BCT 307, New Haven, CT 06511

Mailing Address:

P.O. Box 208284 New Haven, CT 06520

Phone number:

(203) 432-2107

Email:

Research Interests:

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:

• Transition metal oxide interfaces and surfaces: electronic and atomic

reconstructions, orbital control, novel electronic phases, design principles,

electronic correlations, switchable properties, catalysis

• Semiconductor-oxide interfaces: growth strategies and resulting structures,

electronic/chemical/mechanical properties, engineering interfaces

for desired technological applications

• Electronic, mechanical, and structural properties of nanomaterials: nanotubes,

nanowires, 2D systems, and clusters

• Slave-boson methods for complex oxides and approximate solution of extended

Hubbard models

• Many-body Green’s function methods for describing exchange and correlation

• Software development for massively parallel GW calculations

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.

Representative Publications:

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).

Patents:

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).

You are here

Sohrab Ismail-Beigi