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Publications

Refereed Journals

• A. Antonelli, S. Ismail-Beigi, E. Kaxiras, and K. C. Pandey, ``Free energy of concerted-exchange mechanism for self-diffusion in silicon, Physical Review B'' 53, 1310 (1996).
• S. Ismail-Beigi and T. A. Arias, ``Edge-driven transition in surface structure of nanoscale silicon, Physical Review B'' 57, 11923 (1998).
• G. Csányi, S. Ismail-Beigi, and T. A. Arias, ``Paramagnetic Structure of the Soliton of the 30http://volga.eng.yale.edu/sohrab/cv/img2.png Partial Dislocation in Silicon, Physical Review Letters'' 80, 3984 (1998).
• S. Ismail-Beigi and T. A. Arias, ``Locality of the Density Matrix in Metals, Semiconductors and Insulators, Physical Review Letters'' 82, 2127 (1999).
• S. Ismail-Beigi and T. A. Arias, ``Ab Initio Study of Screw Dislocations in Mo and Ta: A new picture of plasticity in bcc transition metals, Physical Review Letters'' 84, 1499 (2000).
• S. Ismail-Beigi and T. A. Arias, ``New Algebraic Formulation of Density Functional Calculation, invited paper for the special issue on ``Parallel Computing in Chemical Physics, Computer Physics Communications 128, 1-45 (June 2000).
• S. Ismail-Beigi, P. Marrone, M. Reagan, T. A. Arias, and J. Tester, ``Ab Initio approach to continuum calculations of solvation energies in water'', (part of Ph.D. thesis, 2000). http://arxiv.org/abs/cond-mat/0007514
• G. Csányi, T. D. Engeness, S. Ismail-Beigi, and T. A. Arias, ``New Physics of the http://volga.eng.yale.edu/sohrab/cv/img3.png Partial Dislocation in Silicon, Journal of Physics: Condensed Matter'' 12, 10029 (2000).
• S. Ismail-Beigi, E. K. Chang, S. G. Louie,``Coupling of Nonlocal Potentials to Electromagnetic Fields, Physical Review Letters'' 87, 087402 (2001).
• D. E. Segall, S. Ismail-Beigi, and T. A. Arias, ``Elasticity of nanometer-sized objects, Physical Review B'' 65, 214109 (2002).
• W. Luo, S. Ismail-Beigi, M. L. Cohen, and S. G. Louie, ``Quasiparticle band structure of ZnS and ZnSe, Physical Reviews B'' 66, 195215 (2002).
• D. S. Segall, S. Ismail-Beigi, A. Strachan, W. A. Goddard III, and T. A., Arias, ``Ab Initio and Finite Temperature Molecular Dynamics Studies of Lattice Resistance in Tantalum, Physical Reviews B'' 68, 014104 (2003).
• S. Ismail-Beigi and S. G. Louie, ``Excited-state Forces within the Ab Initio Bethe-Salpeter Formalism, Physical Reviews Letters'' 90, 076401 (2003).
• C. D. Spataru, S. Ismail-Beigi, L. X. Benedict, and S. G. Louie, ``Excitonic Effects and Optical Spectra of Single-Walled Carbon Nanotubes, Physical Reviews Letters'' 92, 077402 (2004).
• C. D. Spataru, S. Ismail-Beigi, L. X. Benedict, and S. G. Louie, ``Quasiparticle energies, excitonic effects, and optical absorption of small-diameter single-walled carbon nanotubes, invited contribution to Applied Physics A'' 78, 1129 (2004).
• M. L. Tiago, S. Ismail-Beigi, and S. G. Louie, ``Effect of semicore orbitals on the electronic band gaps of Si, Ge, and GaAs within the GW approximation, Physical Review B'' 69, 125212 (2004).
• M. L. Tiago, S. Ismail-Beigi, and S. G. Louie, ``Photoisomerization of azobenzene from first-principles constrained density-functional calculations, Journal of Chemical Physics'' 122, 094311 (2005).
• S. Ismail-Beigi and S. G. Louie, ``Self-trapped Excitons in Silicon Dioxide: Mechanisms and Properties, Physical Review Letters'' 95, 156401 (2005).
• C. D. Spataru, S. Ismail-Beigi, R. B. Capaz, and S. G. Louie, ``Theory and Ab Initio Calculation of Radiative Lifetime of Excitons in Semiconducting Carbon Nanotubes, Physical Review Letters'' 95, 247402 (2005).
• E. B. Barros, R. B. Capaz, A. Jorio, G. G. Samsonidze, A. G. Souza Filho, S. Ismail-Beigi, C. D. Spataru, S. G. Louie, G. Dresselhaus, and M. S. Dresselhaus , ``Selection rules for one- and two-photon absorption by excitons in carbon nanotubes, Physical Review B'' 73, 241406 (2006).
• R. B. Capaz, C. D. Spataru, S. Ismail-Beigi, and S. G. Louie, ``Diameter and chirality dependence of exciton properties in carbon nanotubes, Physical Review B'' 74, 121401 (2006).
• S. Ismail-Beigi, ``Truncation of periodic image interactions for confined systems, Physical Review B'' 73, 233103 (2006).
• S. Ismail-Beigi, ``Electronic, optical, and vibrational properties of single-walled gallium nitride nanotubes, submitted in March 2007 to Physical Review Letters''.
• S. Ismail-Beigi, ``Optical signatures of point defects in n-type and p-type GaN'' (in preparation).

Conference proceedings and book chapters

• S. Ismail-Beigi, ``First principles calculation of optical and electronic properties with inclusion of exciton effects, Physica Status Solidi (c)'' 3, 3365 (2006).
• Chapter on electronic excitations in carbon nanotubes as part of the second edition by Springer of ``Carbon Nanotubes: New Topics in the Synthesis, Structure, Properties and Applications'' (in preparation with co-authors Spataru, Capaz, and Louie).