Showing cond-mat.mtrl-sciShow all
3 papers · 1 filter
cond-mat.mtrl-sci2026
Accurate computation of the electron-phonon interaction contribution to the total energy
Shilpa Paul, Mogadalai Pandurangan Gururajan, Amrita Bhattacharya +1
The standard Hamiltonian of a coupled electron-phonon system is based on second-order perturbation theory. The EPI contribution in the standard Hamiltonian consists of two terms, t…
cond-mat.mtrl-sci2023
Tensile Strain Induced Anomalous Enhancement in the Lattice Thermal Transport of Monolayer ZnO: A First Principles Study
Saumen Chaudhuri, Amrita Bhattacharya, A. K. Das +2
Density functional theory based calculations have been performed for solving the phonon Boltzmann transport equation to investigate the thermal transport properties of monolayer (M…
cond-mat.mtrl-sci2023
Understanding the Role of Four-Phonon Scattering in the Lattice Thermal Transport of Monolayer MoS
Saumen Chaudhuri, Amrita Bhattacharya, A. K. Das +2
In the calculations of lattice thermal conductivity (), vital contributions stemming from four-phonon scattering are often neglected. The significance of four-phonon…