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Welcome! To DISCERE

We work in inter-disciplinary areas of condensed matter physics with broad research interest in first principles based simulation of designing new materials and understanding their properties using state-of-the-art density functional theory (DFT). We predict properties of materials by integrating different level of theories and validate our prediction using the highest level of theoretical approaches within the DFT frame work or by comparing with experimental data (if available). Most of the materials we design have significant impact in materials science.

In short, we aim at developing theoretical methods that allow us in understanding general rules of a given problem in materials science. We solve the problem by including electronic correlation effects by combining DFT with advanced quantum mechanical manybody perturbative approaches (eg. GW, BSE, RPA etc.). In order to capture the effect at finite temperature and pressure, we employ the ab initio atomistic thermodynamics and beyond approaches. For more details kindly refer to our Research and Publication to get some idea of the respective fields that we have explored so far.

With best regards
Saswata Bhattacharya
Associate Professor, Dept. of Physics
Indian Institute of Technology Delhi

Recent Updates

  • Preeti has got multiple postdoc offers! Tough job to decide on where to join!
  • Divyanshi has joined the group.
  • Riya has cleared comprehensive examination.
  • Riya is now our first PMR fellow. Heartiest congratulations!
  • Congratulations to Sajjan for back to back great publications.
  • A great JPCL to start the year! Heartiest congratulations to Sajjan.
  • Saswata has received "Early Career Faculty Research Award 2021" from IIT Delhi.
  • Saswata has received "Young Achiever Award" from Dept. of Atomic Energy, BARC in 65th DAE SSPS 2021.

Selected Recent Publications from the Group

"Coupled spin-valley, Rashba Effects and Hidden Persistent Spin Polarization in WSi2N4 Family"
S. Sheoran, S. Monga, A. Phutela, S. Bhattacharya
J. Phys. Chem. Lett. 14, 1494 (2023)

"Emergence of cubic ordered full-plane persistent spin textures in lead-free materials"
S. Sheoran, P. Bhumla, S. Bhattacharya
Phys. Rev. Mater. 6, 094602 (2022)

"Vacancy-ordered Double Perovskites A2BX6 (A = Cs, B = Pt, Pd, Te, Sn, X = I): An Emerging Class of Thermoelectric Materials"
P. Bhumla, M. Jain, S. Sheoran, S. Bhattacharya
J. Phys. Chem. Lett. 13, 11655 (2022)

"Chalcogenide Perovskites (ABS3; A=Ba, Ca, Sr, and B=Hf, Sn): An Emerging Class of Semiconductors for Optoelectronics"
P. Basera, S. Bhattacharya
J. Phys. Chem. Lett. 13, 6439 (2022)

"Origin of Rashba Spin-splitting and Strain Tunability in Ferroelectric Bulk CsPbF3"
P. Bhumla, D. Gill, S. Sheoran, S. Bhattacharya
J. Phys. Chem. Lett. 12, 9539 (2021)

"Exploring Exciton and Polaron Dominated Photo-physical Phenomena in Ban+1ZrnS3n+1 (n=[1,3]) Ruddlesden-Popper Phases from Manybody Perturbation Theory"
D. Gill, A. Singh, M. Jain, S. Bhattacharya
J. Phys. Chem. Lett. 12, 6698 (2021)

"Optoelectronic Properties of Chalcogenide Perovskites from Manybody Perturbation Theory"
M. Kumar, A. Singh, D. Gill, S. Bhattacharya
J. Phys. Chem. Lett. 12, 5301 (2021)