Research Activity: 

       We are a theoretical condensed matter group involved in designing and performing detailed theoretical investigations of different functional materials suitable for advanced technological applications. Our primary aim is to understand the route cause of exotic and emergent phenomena by carefully investigating the electronic structure, magnetic, optical, and transport properties of functional materials. We develop and employ state-of-the-art and hierarchical first-principles-based theories.

The broad research areas:

• Quantum Materials, Topological Insulators and Semimetals  

• Inorganic/Organic spintronic materials

• Materials for solar cell applications

• Two-dimensional materials and their heterostructure for energy storage applications

Visit our Research page for more details 

Selected recent publications:

Nahid Hassan, Kekkar Subray Ananthram, Therese Mariya Jose, Aradhana Acharya, Sauvik Saha, Umashis Bhoi, Kartick Tarafder, Nirmalya Ballav, “Stabilizing [Ru(bpy)3]3+ at room-temperature in a hybrid crystal with unusual luminescence and ultralow thermal conductivity”,

Nat Commun (2026). https://doi.org/10.1038/s41467-026-72230-0

Suneetha N, Ananthram K S, Nirmalya Ballav, and Kartick Tarafder*, “Coexistence of Spin-Polarized Dirac and Weyl Nodes in 2D Electride Ferromagnet Yttrium Iodide”

The Journal of Physical Chemistry C  2025, 129, 29, 13359-13365 

Pooja Sindhu, K. S. Ananthram, Anil Jain, Kartick Tarafder & Nirmalya Ballav “ Insulator-to-metal-like transition in thin films of a biological metal-organic framework” Nature Communications (2023), Vol 14, page: 2857

Pooja Sindhu, KS Ananthram, Anil Jain, Kartick Tarafder, Nirmalya Ballav “Charge-transfer interface of insulating metal-organic frameworks with metallic conduction” Nature Communications (2022), Volume :13 Issue: 1 Pages:1-10 

Subhasmita Ray and Kartick Tarafder* “Investigation of CdSe and ZnSe as Potential Back Surface Field Layers for CdTe‐Based Solar Cells: A Study from First Principles Calculations” Advanced Theory and Simulations (2023), Vol:6, page: 2200718

Nayana Devaraj and Kartick Tarafder* “Spin-Transport through Van der Waals Heterojunctions Based on 2D-Ferromagnet and Transition Metal Dichalcogenides: A Study from First-Principles Calculations” Advanced theory and simulations (2022), Vol-5, page 2200178

Nayana Devaraj, Kartick Tarafder*, “Large magnetoresistance in a Co/MoS2/Graphene/MoS2/Co magnetic tunnel junction”  Physical Review B (2021), Vol-103(16) Pages-165407

Indukuru Ramesh Reddy, Peter M. Oppeneer and Kartick Tarafder*. “Pressure-driven structural and spin-state transition in a Hofmann clathrate coordination polymer” Journal of Magnetism and Magnetic Materials (2021), Vol. 524, Pages 167637 

Sulakshana Shenoy and Kartick Tarafder*. “Enhanced photocatalytic efficiency of layered CdS/CdSe heterostructures: Insights from first-principles electronic structure calculations.” Journal of Physics: Condensed Matter (2020), Vol:32(27), page:275501, 

Sruthi T and Kartick Tarafder*. “Route to achieving enhanced quantum capacitance in functionalized graphene-based supercapacitor electrodes.” Journal of Physics: Condensed Matter  (2019), Vol: 31(47), page:475502,

Positions available:  The group is open to bright, motivated, and hardworking students/researchers who can apply for Ph.D. and Postdoctoral positions against the official announcement published from time to time on the IITKGP Physics department website. 

Candidates interested in applying for SERB-NPDF-funded postdoctoral positions may also contact the group leader. The successful candidates can choose any projects related to the area mentioned above.