Research Associates

Dr. Arpan Das

Education:

Arpan did his schooling from Deulpur High School, Howrah, West Bengal. He obtained his B.Sc. degree in 2016 with a major in Physics from Uluberia College (University of Calcutta) and M.Sc. degree in 2018 in Physics from Ramakrishna Mission Residential College, Narendrapur (Autonomous) (University of Calcutta). He joined as a Ph.D. student in 2018 in the Computational Nanoscience group led by Prof. Shobhana Narasimhan at TSU, JNCASR. 

Arpan obtained his Ph.D. degree from JNCASR, Bangalore in April, 2024 under the supervision of Prof. Shobhana Narasimhan. Thesis title: "Density Functional Theory Calculations of Doped, Alloyed, and Heterostructure Systems". 

Research area: 

(i) Understanding superstructures of metal atoms deposited on metal surfaces. Density Functional Theory (DFT) calculations of metal surfaces, metal atoms deposited on metal surfaces, compare the superstructures with the low energy electron diffraction (LEED) experiments and simulations of Angle-resolved photoemission spectroscopy (ARPES) data and compare with the DFT calculated electronic structure. 

(ii) Understanding fundamental origin of photoluminescence in doped halide perovskite. Structural, electronic, magnetic, vibrational and photoluminescence properties of pristine and doped halide perovskite materials using DFT and Density Functional Perturbation Theory (DFPT). 

(iii) Understanding band-to-band origin of optical transitions in halide perovskite materials and comparison with spectroscopic Ellipsometry measurements. Optical properties of halide perovskites using DFT. 

(iv) Understanding origin and characteristics of two-dimensional electron gas (2DEG) at the interface of two semiconductors. Electronic and magnetic properties of 2DEG formed at the interface of different oxide perovskites using DFT. 

(v) Understanding molecular structures on metal surfaces. Self-assembly of organic molecules on metal surfaces and DFT simulations of Scanning tunneling microscope (STM) images. 

(vi) Study of van der Waals bonded molecular wires using DFT. 

Contact: arpan@jncasr.ac.in, arpandas9236@gmail.com

Google scholar: https://scholar.google.com/citations?user=OETXunoAAAAJ&hl=en

LinkedIn: https://www.linkedin.com/in/arpan-das-8790a5194/