Mahdi Sanati, Ph.D

Research Interests

My current interests encompass first-principles electronic band structure calculations, molecular dynamic simulations, Monte Carlo simulations, and developing new programs for studying bulk and surface properties of materials. Although my research is theoretical in nature, I always try to associate my subject of study with materials that have scientific and technological importance. I have studied structural materials, shape memory alloys, correlated systems, defects in semiconductors, thermal properties of materials, hydrogen trapping and outgassing in FCC metals, and electronic emission from the surfaces. These are a few examples of my past, current, and future projects.

Selected Publications

• A. Karkash, L. Diaz, R. C. Albers, A. Saxena, and Sanati,  Atomistic mechanism for hydrogen outgassing from Al and Cu FCC metal surfaces under thermal treatment: Failure of diffusion-limited and recombination-limited models, Submitted to Phys. Rev. B. (2024)
• Diaz, A. Krakash, S. Alshahri, R. P. Joshi, E. Schamiloglu, M. Sanati, Importance of the Surface Morphology on the Secondary Electron Emission: A Case Study of Cu covered with Carbon, Carbon Pairs, or Graphite, Sci. Rep. 13 (Nature Publishing Group), 8260 (2023). https://doi.org/10.1038/s41598-023-34721-8
• Diaz, R. C. Albers, A. Saxena, and M. Sanati, Dipolar effects on the work function of an alkali-iodide overlayer (XI, X= Li, Na, K, Rb, and Cs) on tungsten surfaces, Phys. Scrip. 27 (9), 093511 (2023) http://dx.doi.org/10.1088/1402-4896/acba54
• Alsalmi, M. Sanati, R.C. Albers, T. Lookman, and A. Saxena, First-Principles Study of Phase Stability of bcc XZn (X=Cu, Ag, and Au) Alloys, Phys. Rev. M. 2, 11 (2018) https://doi.org/10.1103/PhysRevMaterials.2.113601
• Sanati, R.C. Albers, T. Lookman, and A. Saxena, Elastic constants, phonon density of states, and thermal properties of UO₂, Phys. Rev. B., 20, 465206 (2011) https://doi.org/10.1103/PhysRevB.84.014116
• Sanati, D. West, and R.C. Albers, Electronic structure, chemical ordering, and phase stability of the ω-phase in a Ti₃Al₂X (X=Nb, V) alloy, Phys. Rev. B 76, 174101 (2007) https://doi.org/10.1103/PhysRevB.76.174101
• Sanati, N. Gonzalez Szwacki, and S. K. Estreicher, Interstitial Fe in Siand its interactions with hydrogen and shallow dopants, Phys. Rev. B 76,  125204 (2007) https://doi.org/10.1103/PhysRevB.76.125204
• Sanati, S.K. Estreicher, and M. Cardona: Isotopic-dependence of the heat capacity of c-C, Si, and:An ab-initio calculation Sol. St. Comm. 131, 229-233 (2004) https://doi.org/10.1016/j.ssc.2004.04.043
• Sanati, L. G. Wang, and A. Zunger: Adaptive Crystal Structures, Phys. Rev. Lett., 90, 045502-1 (2003) https://doi.org/10.1103/PhysRevLett.90.045502
• Sanati, A. Saxena, T. Lookman, and R. C. Albers: Landau free energy for bcc-hcp reconstructive phase transformation, Phys. Rev. B, 63, 224114 (2001) https://doi.org/10.1103/PhysRevB.64.092101
• Sanati, R. C. Albers and F. J. Pinski: Electronic and crystal structure of NiTi Martensite, Phys. Rev. B, 58, 13950 (1998) https://doi.org/10.1103/PhysRevB.58.13590