Electronic Structure Theory Group
Publications and Projects

Selected Recent Publications

  1. Himani Mishra and Sitangshu Bhattacharya, "Exciton-driven giant non-linear overtone signals from buckled hexagonal monolayer GaAs", Phys. Rev. B 101, pp. 155132(1)-(14), (2020). Link pdf 
  2. Himani Mishra and Sitangshu Bhattacharya, "Giant exciton-phonon coupling and zero-point renormalization in hexagonal monolayer boron nitride", Phys. Rev. B, 99, pp. 165201(1)-(11), (2019) Link pdf Citations
  3. Himani Mishra, Anindya Bose, Amit Dhar and Sitangshu Bhattacharya, "Exciton-Phonon Coupling and Band-Gap Renormalization in Monolayer WSe2 ", Phys. Rev. B, 98, pp. 045143(1)-(12), (2018) Link pdf Citations
  4. Akansha Bansal, Himani Mishra, Sitangshu Bhattacharya, and Babu Ram Singh, "First Principles Calculations of Bonding and Charges at the Al2O3 Interface in a c-Si/SiO2/am-Al2O3 Structure Applicable for the Surface Passivation of Silicon-Based Solar Cells", IEEE T-ED 63, pp. 544-550, (2016). Link pdf Citations

International Projects as PI

  1. "Ab-initio linear and non-linear ultrafast spectroscopy in two-dimensional nitrogen based binary buckled group V semiconductors", Indo-Czech International Bilatteral Project 2020-2023 Funding ~ 1.2 Crores

Past National Projects as PI

  1. "Graphene Transistors on DIfferent HIgh-k Dielectrics as Perfromance Boosters and Role of Self Heating: A Physics Based Theoretical Approach", funded by Young Scientist Scheme, DST, Govt. of India, (Duration: 2015-2018), Grant sanctioned: INR, 27 Lacs (appx).
  2. "Power Scaling in Next-Generation Nanoelectronics Materials and Devices", funded by INSPIRE FACULTY PROGRAME, DST, Govt. of India, (Duration: 2013-2018), Grant sanctioned: INR, 35 Lacs. 
  3. "Compact Modeling of Carbon Nanotube Transistors and Their Interconnects", funded by Department of Science and Technology, Govt. of India, (Duration: 2009-2012), Grant sanctioned: INR, 21 Lacs. Awarded "Excellent gratification" by Department of Science and Technology, Govt. of India.

Past Project as Co-PI

  1. "Ab-Initio Analytical Study of the Effect of Strain on Silicon", Co-Principle Investigator: Dr. Sitangshu Bhattacharya, funded by Indian Space Research Organization-Indian Institute of Science, Space Technology Cell, (Duration: 2010 to 2013, Grant sanctioned: INR, 25 Lacs.


  1. Rekha Verma Sitangshu BHattacharya and Santanu Mahapatra, " A graphene based thermoelectric generator", Applied for Indian patent, Application Number: 3625/CHE/2013, August 2013