Welcome to the Computational Condensed Matter Group
@ S.N. Bose National Centre for Basic Sciences
Department of Condensed Matter Physics and Material Sciences
What we do
The interest of our group is in a microscopic understanding of the properties of materials using a combination of tools. The systems we look at range from something as simple as an oxygen molecule to systems more complicated consisting of transition metal atoms in very complex geometries.
Our interests range from understanding and predicting magnetism, complex ordering phenomena of correlated electrons manifesting as charge and orbital ordering, size dependent elastic properties in semiconductors, structure evolution at the nanoscale etc.
Our recent interests have been focused on
Examining properties at the nanoscale - focusing on nanoplatelets; trying to understand why they form and their electronic structure.
Exploring twisted homo and heterobilayers of transition metal dichalcogenides - probing spin,valley physics; unusual phenomena at the small twist angle limit.
Exploring phenomena in transition metal oxides ranging from the 3d oxides which have been extensively studied as well as the 4d and the 5d oxides where spin-orbit interactions become more important.
Examining hybrid perovskites which have recently become important for use in solar cells, apart from having excellent optoelectronic properties. These in contrast to their well-known counterpart, the inorganic perovskites, have a molecule at the A site.
Some Recent Publications
1. Shape Control of Emissive Properties of Mn-Doped CsPbBr3 Nanocrystals, Debayan Mondal and Priya Mahadevan, J. Phys. Chem. C (2021).
2. Light Emitting Metal-Organic Halide 1D and 2D Structures: Near-unity Quantum Efficiency, Low-loss Optical Waveguide and Highly Polarised Emission, Feng Liu, Tongjin Zhang, Debayan Mondal, Shiyong Teng, Ying Zhang, Keke Huang, Dayang Wang, Wengsheng Yang, Priya Mahadevan, Yong Sheng Zhao, Renguo Xie and Narayan Pradhan, Angew. Chem. (2021).
3. Band gap reduction in ferroelectric BaTiO3 through heterovalent Cu-Te co-doping for visible light photocatalysis, Rohit Kumar, Rohj, A. Hossain, Priya Mahadevan and D.D. Sarma, Fronteirs in Chemistry 9, 372 (2021).
4. Evolution of the electronic structure of twisted bilayer MoSe2 , Sumanti Patra, Poonam Kumari and P. Mahadevan, Phys. Rev. B 102, 205415 (2020).
5. Layer dependent electronic structure changes in transition metal dichalcogenides – The microscopic origin, S.K. Pandey, Ruma Das and Priya Mahadevan, ACS Omega 5, 15169 (2020).
6. Engineering spin-valley physics in bilayers of MoSe2 , P Kumari, J Chatterjee, P Mahadevan, Phys. Rev. B 101, 045032 (2020).
7. Tetramer orbital ordering and lattice chirality in MnTi2O4 , A Rahaman, M Chakraborty, T Paramanik, RK Maurya, S Mahana, R Bindu, D Topwal, P Mahadevan and D Choudhury, Phys. Rev. B 100, 115162 (2019).
8. Arms growth and facet modulation in Perovskite Nanocrystals, Lucheng Peng, Sumit Kumar Dutta, Debayan Mondal, Biswajit Hudait, Sanjib Shyamal, Renguo Xie, Priya Mahadevan and Narayan Pradhan, J. Am. Chem. Soc., 141 161160 (2019).
9. Designing a lower bandgap bulk ferroelectric material with a sizable polarization at the room temperature, S. Das, S. Ghara, Priya Mahadevan, S. Athinarayanan, J. Gopalakrishnan and D.D. Sarma, ACS Energy Lett. 3, 1176 (2018).
10. Structural distortions in monolayers of binary semiconductors, Poonam Kumari, Saikat Debnath and Priya Mahadevan , Phys. Rev B 97, 041404 (2018).
11. Role of the A-site cation in determining the properties of hybrid perovskites of the form CH3NH3PbBr3 , S. Sarkar and Priya Mahadevan, Phys. Rev. B 95 214118 (2017).
12. Quantum confinement : A route to enhance the Curie temperature of Mn doped GaAs, B. Mandal, Hirak Kumar Chandra, Poonam Kumari and Priya Mahadevan, Phys. Rev. B 96, 014430 (2017).
13. Doping a Dipole into an incipient ferroelectric: A route to relaxor ferroelectrics, N Vijay Prakash Chaudhary, S. Sarkar, N. Sharma, Ashis K Kundu, K.S.R. Menon, A. Das, Priya Mahadevan and A. Venimadhav, Phys. Rev. B 96, 024107 (2017).
Prof. Priya Mahadevan
Senior Professor
Department of Condensed Matter Physics and Material Sciences
S.N. Bose National Centre For Basic Sciences
Kolkata- 700 098