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The nonequilibrium Green's function (NEGF) method is often used to predict transport in atomistically resolved nanodevices and yields an immense numerical load when inelastic scattering on phonons is included. To ease this load, this work…
Many-body entangled quantum spin systems exhibit emergent phenomena such as topological quantum spin liquids with distinct excitation spectra accessed in inelastic neutron scattering (INS) experiments. Here we simulate the dynamics of a…
Characterizing resonant scatterers is challenging because their poles and zeros usually lie away from the real-frequency axis, whereas most measurements sample only real frequencies and infer off-axis behavior from fitted models. Here we…
With the increasing miniaturization of electronic components and the need to optimize thermal management, it has become essential to understand heat transport at metal/semiconductor interfaces. While it has been recognized decades ago that…
The phonon dispersion was measured at room temperature along (0,0,L) in the tetragonal phase of LaFeAsO using inelastic x-ray scattering. Spin-polarized first-principles calculations imposing various types of antiferromagnetic order are in…
Over the last three decades, several experimental initiatives have been launched with the goal of observing radio-frequency signals produced by ultra-high energy neutrinos (UHEN) interacting in solid media. Observed neutrino event…
In this work, we present a comprehensive investigation of graphene's thermal conductivity using first-principles density functional perturbation theory calculations, with a focus on the phonon and lattice vibrational properties underlying…
The phonon modes at finite temperature in graphene and single-walled carbon nanotubes (SWCNT) are investigated by the mode projection technique combined with molecular dynamics simulation. It is found that the quadratic phonon spectrum of…
We consider the physics of transport through quantum dots in the presence of two tunneling paths. The first path sees electrons hopping on and off the dot while the second path is modeled through a potential scattering-like term. To study…
Motivated by recent experimental refinements of stellar reaction rates, we establish a non-perturbative Green's function formalism based on the exact solution of the Dyson equation for sub-barrier proton-nucleus resonant scattering. By…
Non-diffusive thermal transport has gained extensive research interest recently due to its important implications on fundamental understanding of material phonon mean free path distributions and many nanoscale energy applications. In this…
R-function theory of Thomas used in study of inelastic scattering of neutrons to a definite state. Onset of fluctuations, effects of randomness of phases of interfering amplitudes, and variations in statistical distributions of neutron…
Space-time dependence of imaginary-time propagators, vital for \textit{ab initio} and many-body calculations based on quantum field theories, has been revealed to be compressible using Quantum Tensor Trains (QTTs) [Phys. Rev. X {\bf 13},…
The wave property of phonons is employed to explore the thermal transport across a finite periodic array of nano-scatterers such as circular and triangular holes. As thermal phonons are generated in all directions, we study their…
We derive the neutrino oscillation probability in vacuum using scattering theory methods developed earlier in the context of collider physics. It is computed from Feynman diagrams that combine neutrino production and detection processes…
Electron-phonon interactions in solids are crucial for understanding many interesting phenomena, such as conventional superconductivity, temperature-dependent band-gap renormalization, and polarons. For harmonic materials, the linear…
The impact of dispersion relations, anisotropy, and Brillouin zone structure on intrinsic phonon scattering rates has been assessed within the harmonic approximation-perturbation theory approach for lattice dynamics. Anisotropic nonlinear…
In this master thesis, a new approximation scheme to non-relativistic potential scattering is developed and discussed. The starting points are two exact path integral representations of the T-matrix, which permit the application of the…
A Green's function in an acoustic medium can be retrieved from reflection data by solving a multidimensional Marchenko equation. This procedure requires a-priori knowledge of the initial focusing function, which can be interpreted as the…
This paper addresses the first principles description of coherent phonons in systems subjected to optical excitations and/or doping. We reformulate the first-principles Ehrenfest equation (fpEE) [Phys. Rev. X {\bf 13}, 031026 (2023)] in…