Related papers: Diffuse scattering in metallic tin polymorphs
The recent experimental observations of designer Dirac Fermions and topological phases in molecular graphene are addressed theoretically. Using scattering theory we calculate the electronic structure of finite lattices of scattering centers…
Dynamic modulation of material properties in space and time enables powerful control over wave propagation, yet existing theories largely rely on idealized, nondispersive models. In realistic media, frequency dispersion can strongly reshape…
The theoretical understanding of plasmon behavior is crucial for an accurate interpretation of inelastic scattering diagnostics in many experiments. We highlight the utility of linear-response time-dependent density functional theory…
We present a combined single-crystal x-ray diffuse scattering and ab-initio molecular dynamics study of lead telluride, PbTe. Well-known for its thermoelectric and narrow-gap semiconducting properties, PbTe recently achieved further…
Similar effects of metal and boron vacancies on phonon scattering and lattice thermal conductivity ($\kappa_l$) of ZrB$_2$ and HfB$_2$ are reported. These defects challenge the conventional understanding that associates larger impacts to…
We present a theory and a simulation of thermal diffuse scattering due to the excitation of magnons in scanning transmission electron microscopy. The calculations indicate that magnons can present atomic contrast when detected by electron…
Recent developments of the sources of intense and ultrashort X-ray pulses stimulate theoretical studies of phenomena occurring on ultrafast timescales. In the present study, spin-flip dynamics in transition metal complexes triggered by…
Electron-phonon interaction is of central importance for the electrical and heat transport properties of metals, and is directly responsible for charge-density-waves or (conventional) superconducting instabilities. The direct observation of…
Lattice relaxation profoundly reshapes electronic structures in twisted materials. Prevailing treatments, however, typically rely on large-scale density functional theory (DFT), which is computationally costly and mechanistically opaque.…
We propose a novel type of bi-anisotropic hybrid metal-dielectric structure comprising dielectric and metallic cylindrical wedges wherein the composite meta-cylinder enables advanced control of electric, magnetic and magnetoelectric…
Defects, i.e. inhomogeneities of the underlying lattice, are ubiquitous in magnetic materials and can have a crucial impact on their applicability in spintronic devices. For magnetic skyrmions, localized and topologically non-trivial spin…
This paper investigates the dispersion characteristics of a highly anisotropic metamaterial comprised of metal square patches arranged in a glide symmetry pattern and submerged in vacuum. Theoretical formulas are proposed to describe the…
We study the inelastic scattering rate due to the Coulomb interaction in three-dimensional Dirac/Weyl semimetals at finite temperature. We show that the perturbation theory diverges because of the long-range nature of the interaction,…
Detailed understanding of vibrational heat transfer mechanisms between solids is essential for the efficient thermal engineering and control of nanomaterials. We investigate the frequency dependence of anharmonic scattering and interfacial…
We investigated the crystal structure and lattice excitations of the ternary intermetallic stannide Ca3Ir4Sn13 using neutron and x-ray scattering techniques. For T > T* ~ 38 K the x-ray diffraction data can be satisfactorily refined using…
Time-resolved mapping of lattice dynamics in real- and momentum-space is essential to understand better several ubiquitous phenomena such as heat transport, displacive phase transition, thermal conductivity, and many more. In this regard,…
In semiconductors almost all heat is conducted by phonons (lattice vibrations), which is limited by their quasi-particle lifetimes. Phonon-phonon interactions represent scattering mechanisms that produce thermal resistance. In…
Due to its incommensurate nature, moir\'e superlattices host not only acoustic phonons but also another type of soft collective modes called phasons. Here, we investigate the impact of electron-phason scattering on the transport properties…
A recently developed Shastry's formalism for energy transport is used to analyze the temporal and spatial behaviors of the energy and heat transport in metals under delta function excitation at the surface. Comparison with Cattaneo's model…
The lattice dynamics of the silica polymorph {\alpha}-cristobalite has been investigated by a combination of diffuse and inelastic x-ray scattering and ab initio lattice dynamics calculations. Phonon dispersion relations and vibrational…