Research

We work on theoretical condensed matter physics with primary focus on computational study of materials properties. Below are some of our research interests:

  • Nanomaterials
  • Thin films and heterostructures
  • 2-dimensional materials
  • Bulk materials
  • Electronic structure
  • Magnetic properties
  • Optical properties
  • Energetics
  • Mechanical properties
  • Density Functional Theory (DFT) and beyond
  • Quantum Monte Carlo

Group Members


Our Publications

Enhancement of the superconducting transition temperature by Re doping in Weyl semimetal MoTe2

Manasi Mandal, Sourav Marik, K. P. Sajilesh, Arushi, Deepak Singh, Jayita Chakraborty, Nirmal Ganguli, and R. P. Singh

Physical Review Materials (2018)

Interplay of covalency, spin-orbit coupling, and geometric frustration in the d3.5 system Ba3LiIr2O9

Jayita Chakraborty

Physical Review B (2018)

Electronic and magnetic properties of magnetoelectric compound Ca2CoSi2O7: An ab initio study

Jayita Chakraborty

Journal of Magnetism and Magnetic Materials (2018)

Electronic and magnetic properties of low dimensional system Co2TeO3Cl2

Jayita Chakraborty

Journal of Physics: Condensed Matter (2017)

Channel-Assisted Proton Conduction Behavior in Hydroxyl-Rich Lanthanide-Based Magnetic Metal-Organic Frameworks

Soumava Biswas, Jayita Chakraborty, Vijay Singh Parmar, Siba Prasad Bera, Nirmal Ganguli, Sanjit Konar

Inorganic Chemistry (2017)

A comparative study of magnetic and optical properties of Mn-, Gd-, and Nd-doped ZnO nanowires

Arup Chakraborty, Chol-Sam Jong, Nirmal Ganguli, I. Dasgupta

International Journal of Modern Physics B (2017)

Sponsored Projects

Some of our sponsored projects are listed bellow:

Project Title Duration Amount
Magnetism and spin-orbit interaction at complex oxide interfaces for technology: An ab initio investigation 12 Jan 2017 - 11 Jan 2020 ₹ 47,25,600