23 citations · 156 across the 18 of their papers we have counts for
18 papers
Near itinerancy and slow singlet formation in the triangular lattice NaRuO2
Charles C. Tam, Alon Hendler Avidor, Pritam Bhattacharyya +6
NaRuO forms a delafossite-like structure that contains triangular sublattices of edge-sharing RuO octahedra. It shows no evidence of magnetic order down to 100 mK and persi…
Spin-orbit-lattice entangled state in AMgReO (A = Ca, Sr, Ba) revealed by resonant inelastic X-ray scattering
Felix I. Frontini, Graham H. J. Johnstone, Naoya Iwahara +7
The ordered double perovskites present an exotic playground for studying novel multi-polar physics due to large spin-orbit coupling. We present Re L3 edge resonant inelastic…
Anisotropic Coulomb exchange as source of Kitaev and off-diagonal symmetric anisotropic couplings
Pritam Bhattacharyya, Thorben Petersen, Nikolay A. Bogdanov +1
Exchange underpins the magnetic properties of quantum matter. In its most basic form, it occurs through the interplay of Pauli's exclusion principle and Coulomb repulsion, being re…
Sweet spot in the RuCl magnetic system: nearly ideal moments and maximized ratio under pressure
Pritam Bhattacharyya, Liviu Hozoi, Quirin Stahl +2
Maximizing the ratio between Kitaev and residual Heisenberg interactions is a major goal in nowadays research on Kitaev-Heisenberg quantum magnets. Here we investigate Kitaev-Heise…
Benchmarking Gaussian Basis Sets in Quantum-Chemical Calculations of Photoabsorption Spectra of Light Atomic Clusters
Vikram Mahamiya, Pritam Bhattacharyya, Alok Shukla
The choice of Gaussian basis functions for computing the ground-state properties of molecules, and clusters, employing wave-function-based electron-correlated approaches, is a well…
Resonating holes vs molecular spin-orbit coupled states in group-5 lacunar spinels
Thorben Petersen, Pritam Bhattacharyya, Ulrich K. Rößler +1
The valence electronic structure of magnetic centers is one of the factors that determines the characteristics of a magnet. It may refer to orbital degeneracy, as for $j_\text{eff}…
NaRuO: Kitaev-Heisenberg exchange in triangular-lattice setting
Pritam Bhattacharyya, Nikolay A. Bogdanov, Satoshi Nishimoto +2
Kitaev exchange, a new paradigm in quantum magnetism research, occurs for 90 metal-ligand-metal links, transition ions, and sizable spin-orbit coupling. It is…
Electronic and structural properties of RbCeX (X: O, S, SeS, Se, TeSe, Te)
Brenden R. Ortiz, Mitchell M. Bordelon, Pritam Bhattacharyya +11
Triangular lattice delafossite compounds built from magnetic lanthanide ions are a topic of recent interest due to their frustrated magnetism and realization of quantum disordered…
Crystal-field effects competing with spin-orbit interactions in NaCeO
Pritam Bhattacharyya, Ulrich K. Rößler, Liviu Hozoi
Ce compounds feature a remarkable diversity of electronic properties, which motivated extensive investigations over the last decades. Inelastic neutron scattering represents an imp…
Crystal Growth, Exfoliation and Magnetic Properties of Quaternary Quasi-Two-Dimensional CuCrPS
Sebastian Selter, Kranthi K. Bestha, Pritam Bhattacharyya +8
We report optimized crystal growth conditions for the quaternary compound CuCrPS by chemical vapor transport. Compositional and structural characterization of the obtained…
Why does BH-icosahedron need two electrons to be stable: A first-principles electron-correlated investigation of BH (6,12) clusters
Pritam Bhattacharyya, Ihsan Boustani, Alok Shukla
In this work, we present large-scale electron-correlated computations on various conformers of BH and BH clusters, to understand the reasons behind the h…
Molecular Switching Operation in Gate Constricted Interface of MoS and hBN Heterostructure
Rahul Tripathi, Pritam Bhattacharyya, Sukanta Nandi +2
Combined diverse two-dimensional (2D) materials for semiconductor interfaces are attractive for electrically controllable carrier confinement to enable excellent electrostatic cont…
Role of Defect Induced Interfacial States in Molecular Sensing: Ultrahigh- Sensitive Region for Molecular Interaction
Rahul Tripathi, Pritam Bhattacharyya, Alok Shukla +1
The defect induced interfacial states are created in an atomically thin two-dimensional molybdenum disulfide channel by underlying a narrow pattern of a graphene layer in a field e…
Tunability of electrical and thermoelectrical properties of monolayer MoS through oxygen passivation
Swarup Deb, Pritam Bhattacharyya, Poulab Chakrabarti +4
Electric and thermoelectric properties of strictly monolayer MoS films, which are grown using a novel micro-cavity based CVD growth technique, have been studied under diverse e…
Pariser-Parr-Pople Model based Configuration-Interaction Study of Linear Optical Absorption in Lower-Symmetry Polycyclic Aromatic Hydrocarbon Molecules
Pritam Bhattacharyya, Deepak Kumar Rai, Alok Shukla
The electronic and optical properties of various polycyclic aromatic hydrocarbons (PAHs) with lower symmetry, namely, benzo[ghi]perylene (CH), benzo[a]coronene (C$_{2…
Influence of Edge Functionalization on Electronic and Optical Properties of Armchair Phosphorene Nanoribbons: a First-Principles Study
Pritam Bhattacharyya, Rupesh Chaudhari, Naresh Alaal +2
In this work, we present a systematic first-principles density-functional theory based study of geometry, electronic structure, and optical properties of armchair phosphorene nanor…
Systematic First Principles Configuration-Interaction Calculations of Linear Optical Absorption Spectra in Silicon Hydrides : SiH ()
Pritam Bhattacharyya, Deepak Kumar Rai, Alok Shukla
We have performed first principles electron-correlated calculations employing large basis sets to optimize the geometries, and to compute linear optical absorption spectra of vario…
First Principles Study of Structural and Optical Properties of B Isomers
Pritam Bhattacharyya, Ihsan Boustani, Alok Shukla
In this work we undertake a comprehensive numerical study of the ground state structures and optical absorption spectra of isomers of B cluster. Geometry optimization was pe…