Quantum interference effects elucidate triplet-pair formation dynamics in intramolecular singlet-fission molecules KR Parenti, R Chesler, G He, P Bhattacharyya, B Xiao, H Huang, ...
Nature Chemistry 15 (3), 339-346, 2023
15 2023 Crystal growth, exfoliation, and magnetic properties of quaternary quasi-two-dimensional S Selter, KK Bestha, P Bhattacharyya, B Özer, Y Shemerliuk, M Roslova, ...
Physical Review Materials 7 (3), 033402, 2023
8 2023 Pariser-Parr-Pople Model based Configuration-Interaction Study of Linear Optical Absorption in Lower-Symmetry Polycyclic Aromatic Hydrocarbon Molecules P Bhattacharyya, DK Rai, A Shukla
The Journal of Physical Chemistry C 124 (26), 14297-14305, 2020
6 2020 Systematic First-Principles Configuration-Interaction Calculations of Linear Optical Absorption Spectra in Silicon Hydrides: Si2 H2n (n = 1–3) P Bhattacharyya, DK Rai, A Shukla
The Journal of Physical Chemistry A 123 (40), 8619-8631, 2019
6 2019 Why Does a B12 H12 Icosahedron Need Two Electrons to be Stable: A First-Principles Electron-Correlated Investigation of B12 Hn n = 6, 12) Clusters P Bhattacharyya, I Boustani, A Shukla
The Journal of Physical Chemistry A 125 (51), 10734-10741, 2021
5 2021 Molecular switching operation in gate constricted interface of MoS2 and hBN heterostructure R Tripathi, P Bhattacharyya, S Nandi, A Shukla, A Misra
Applied Materials Today 23, 100999, 2021
5 2021 Effect of Oxygen Adsorption on Electrical and Thermoelectrical Properties of Monolayer S Deb, P Bhattacharyya, P Chakrabarti, H Chakraborti, KD Gupta, ...
Physical Review Applied 14 (3), 034030, 2020
5 2020 First principles study of structural and optical properties of B12 isomers P Bhattacharyya, I Boustani, A Shukla
Journal of Physics and Chemistry of Solids 133, 108-116, 2019
5 2019 Influence of edge functionalization on electronic and optical properties of armchair phosphorene nanoribbons: a first-principles study P Bhattacharyya, R Chaudhari, N Alaal, T Rana, A Shukla
Electronic Structure 2 (2), 025001, 2020
4 2020 NaRuO2 : Kitaev-Heisenberg exchange in triangular-lattice setting P Bhattacharyya, NA Bogdanov, S Nishimoto, SD Wilson, L Hozoi
npj Quantum Materials 8 (1), 52, 2023
3 2023 Resonating holes vs molecular spin-orbit coupled states in group-5 lacunar spinels T Petersen, P Bhattacharyya, UK Rößler, L Hozoi
Nature Communications 14 (1), 5218, 2023
3 2023 Electronic and structural properties of RbCeX BR Ortizy, MM Bordelon, P Bhattacharyya, G Pokharel, PM Sarte, ...
Phys. Rev. Materials 6 (8), 084402, 2022
3 2022 Benchmarking Gaussian Basis Sets in Quantum-Chemical Calculations of Photoabsorption Spectra of Light Atomic Clusters V Mahamiya, P Bhattacharyya, A Shukla
ACS Omega 7 (51), 48261-48271, 2022
2 2022 Crystal-field effects competing with spin-orbit interactions in NaCeO P Bhattacharyya, UK Rößler, L Hozoi
Phys. Rev. B 105, 115136, 2022
2 2022 Crystal Growth, Exfoliation and Magnetic Phase Diagram of Quaternary Quasi-Two-Dimensional CuCrP S Selter, Y Shemerliuk, KK Bestha, LT Corredor, B Özer, L Veyrat, ...
arXiv preprint arXiv:2112.02590, 2021
2 2021 Role of Defect-Induced Interfacial States in Molecular Sensing: Ultrahigh-Sensitivity Region for Molecular Interaction R Tripathi, P Bhattacharyya, A Shukla, A Misra
Physical Review Applied 14 (5), 054014, 2020
2 2020 Coulomb exchange as source of Kitaev and off-diagonal symmetric anisotropic couplings P Bhattacharyya, T Petersen, NA Bogdanov, L Hozoi
Communications Physics 7 (1), 121, 2024
1 2024 Maximized P Bhattacharyya, L Hozoi, S Nishimoto, Q Stahl, J Geck, NA Bogdanov
Physical Review B 108 (16), L161107, 2023
1 2023 Luxuriant correlation landscape in lacunar spinels: multiconfiguration expansions in molecular-orbital basis vs resonant valence structures T Petersen, UK Rößler, L Hozoi
arXiv preprint arXiv:2301.03392, 2023
1 2023 Antiferromagnetic anisotropic exchange competing with Heisenberg nearest-neighbor ferromagnetism in triangular-lattice NaRuO P Bhattacharyya, NA Bogdanov, S Nishimoto, SD Wilson, L Hozoi
arXiv preprint arXiv:2212.09365, 2022
1 2022 
Alok ShuklaProfessor of Physics, Indian Institute of Technology BombayEmail verificata su phy.iitb.ac.in
