Related papers: On the Electronic Contribution to Crystalline Diff…
Heterostructuring provides different ways to manipulate the orbital degrees of freedom and to tailor orbital occupations in transition metal oxides. However, the reliable prediction of these modifications remains a challenge. Here, we…
This work presents a rigorous theory for topological photonic materials in one dimension. The main focus is on the existence and stability of interface modes that are induced by topological properties of the bulk structure. For a general 1D…
Conventional methods of wavefront reconstruction from the raw data of the Shack-Hartmann sensor use the focal spot shifts and discard the high-frequency information about the wavefront. Phase-retrieval-based methods treat the Hartmann…
A detailed study of the angular, energy and polarization dependences of the electric dipolar (E1: 2p->5d) and quadrupolar (E2: 2p->4f) contributions to the x-ray scattering cross-section is presented for holmium in its basal plane spiral…
We present a formalism for studying the radiation-matter interaction in multilayered dielectric structures with active semiconductor quantum wells patterned with an in-plane periodic lattice. The theory is based on the diagonalization of…
A central goal of condensed-matter physics is to understand how the diverse electronic and optical properties of crystalline materials emerge from the wavelike motion of electrons through periodically arranged atoms. However, more than 90…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
We report polarized optical reflectance studies of \alpha'-NaV2O5 as a function of temperature (4-45 K) and magnetic field (0-60 T). Rung directed electronic structure changes, as measured by near-infrared reflectance ratios \Delta…
We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the…
Electronic band structure for electrons bound on periodic minimal surfaces is differential-geometrically formulated and numerically calculated. We focus on minimal surfaces because they are not only mathematically elegant (with the surface…
Electromagnetic properties depend on the composition of materials, i.e. either angstrom scales of molecules or, for metamaterials, subwavelength periodic structures. Each material behaves differently in accordance with the frequency of an…
We study the extended Bose-Hubbard model on the square lattice at half filling as a function of next-nearest neighbor hopping amplitude and interaction strength. To variationally map out the phase diagram of this model, we develop a…
Materials characterization using electron backscatter diffraction (EBSD) requires indexing the orientation of the measured region from Kikuchi patterns. The quality of Kikuchi patterns can degrade due to pattern overlaps arising from two or…
The electronic structure of the heavy fermion compound CeB6 is probed by resonant inelastic soft X-ray scattering using photon energies across the Ce 3d and 4d absorption edges. The hybridization between the localized 4f orbitals and the…
The large variety of complex electronic structure materials and their alloys, offer highly promising directions for improvements in thermoelectric (TE) power factors (PF). Their electronic structure contains rich features, referred to as…
Atom-surface interactions can significantly modify the intensity and phase of atom de Broglie waves diffracted by a silicon nitride grating. This affects the operation of a material grating as a coherent beam splitter. The phase shift…
Symmetry classification of crystal structures has been central to predicting physical properties of materials. While such structural classification identifies which physical responses are symmetry-allowed, the magnitudes of these responses…
The periodic cellular topology characterizing the microscale structure of a heterogeneous material may allow the finest functional customization of its acoustic dispersion properties. The paper addresses the free propagation of elastic…
In our first paper [2] we explained why the Zak-OTFS input-output (I/O) relation is predictable and non-fading when the delay and Doppler periods are greater than the effective channel delay and Doppler spreads, a condition which we refer…
We study the refraction effect of electronic wave in hole-doped lateral heterojunctions of metallic and semiconducting transition-metal dichalcogenide monolayers. This effect is theoretically investigated in 2$H$-type MoSe$_2$-NbS$_2$ and…