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Berry curvature dipole senses topological transition in a moiré superlattice
Subhajit Sinha, Pratap Chandra Adak, Atasi Chakraborty +8
Topological aspects of electron wavefunction play a crucial role in determining the physical properties of materials. Berry curvature and Chern number are used to define the topolo…
Doping controlled Fano resonance in bilayer 1T-ReS: Raman experiments and first-principles theoretical analysis
Subhadip Das, Suchitra Prasad, Biswanath Chakraborty +6
In the bilayer ReS channel of a field-effect transistor (FET), we demonstrate using Raman spectroscopy that electron doping (n) results in softening of frequency and broade…
Prediction of Coupled Electronic and Phononic Ferroelectricity in Strained 2D h-NbN: First-principles Theoretical Analysis
Anuja Chanana, Umesh V. Waghmare
Using first-principles density functional theoretical analysis, we predict coexisting ferroelectric and semi-metallic states in two-dimensional monolayer of h-NbN subjected to elec…
Phonons and Thermal Conducting Properties of Borocarbonitride (BCN) Nanosheets
Himanshu Chakraborty, Santosh Mogurampelly, Vivek K. Yadav +2
Hexagonal borocarbonitrides (BCN) are a class of 2D materials, which display excellent catalytic activity for water splitting. Here, we report analysis of thermal stability, phonon…
Phonon Eigenspectrum-Based Formulation of the Atomistic Green's Function Method
Sridhar Sadasivam, Umesh V. Waghmare, Timothy S. Fisher
While the atomistic Green's function (AGF) method has the potential to compute spectrally resolved phonon transport across interfaces, most prior formulations of the AGF method pro…
Anisotropy of the Stone-Wales Defect and Warping of Graphene Nano-ribbons: A First-principles Analysis
Somnath Bhowmick, Umesh V Waghmare
Stone-Wales (SW) defects, analogous to dislocations in crystals, play an important role in mechanical behavior of -bonded carbon based materials. Here, we show using first-pr…