Related papers: Maximally Localized Wannier Functions within the F…
Available laser technology is opening the possibility of testing QED experimentally in the so-called strong-field regime. This calls for developing theoretical tools to investigate strong-field QED processes in electromagnetic fields of…
In the series of 3d1 t2g perovskites, SrVO3--CaVO3--LaTiO3--YTiO3 the transition-metal d electron becomes increasingly localized and undergoes a Mott transition between CaVO3 and LaTiO3. By defining a low-energy Hubbard Hamiltonian in the…
Exponentially-localized Wannier functions (ELWFs) are an orthonormal basis of the Fermi projection of a material consisting of functions which decay exponentially fast away from their maxima. When the material is insulating and crystalline,…
In order to arrive at ultimately accurate results available with the LMTO method in the local density approximation, the stability of full-potential LMTO predictions for off-center displacements in KNbO3, as depending on the choice of basis…
Phonon polaritons (PhPs),light coupled to lattice vibrations,with in-plane hyperbolic dispersion exhibit ray-like propagation with large wavevectors and enhanced density of optical states along certain directions on a surface. As such, they…
In this work, we investigate conditions which ensure the existence of an exponentially localized Wannier basis for a given periodic hamiltonian. We extend previous results in [Pan07] to include periodic zero flux magnetic fields which is…
The method used earlier for analysis of correlated nanoscopic systems is extended to infinite (periodic) s-band like systems described by the Hubbard model and its extensions. The optimized single-particle wave functions contained in the…
In this note we prove the estimate $M^{\sharp}_{0,s}(Tf)(x) \le c\,M_\gamma f(x)$ for general fractional type operators $T$, where $M^{\sharp}_{0,s}$ is the local sharp maximal function and $M_\gamma$ the fractional maximal function, as…
Full Waveform Inversion (FWI) is a modeling algorithm used for seismic data processing and subsurface structure inversion. Theoretically, the main advantage of FWI is its ability to obtain useful subsurface structure information, such as…
The goal of this article is to establish L^p-estimates for maximal functions associated with nonisotropic dilations of hypersurfaces in R^3. Several results have already been obtained by Greenleaf, Iosevich-Sawyer-Seeger,…
An ab initio Hartree-Fock approach aimed at directly obtaining the localized orthogonal orbitals (Wannier functions) of a crystalline insulator is described in detail. The method is used to perform all-electron calculations on the ground…
Structural and optoelectronic properties of BaThO3 cubic perovskite are calculated using all electrons full potential linearized augmented plane wave (FP-LAPW) method. Wide and direct band gap, 5.7 eV, of the compound predicts that it can…
A strong correlation between magnetic interaction and topological symmetries leads to unconventional magneto-transport behavior. Weyl fermions induce topologically protected spin-momentum locking, which is closely related to spin-wave gap…
Polaritons - hybrid light-mater excitations - are very appealing for the confinement of light at the nanoscale. Recently, different kinds of polaritons have been observed in thin slabs of van der Waals (vdW) materials, with particular…
In light of recent advancements in energy technology, there is an urgent need for lead-free barium titanate (BTO) -based materials that exhibit remarkable ferroelectric and photoelectric properties. Notwithstanding the considerable…
The cohesive energy, equilibrium lattice constant, and bulk modulus of noble metals are computed by different van der Waals-corrected Density Functional Theory methods, including vdW-DF, vdW-DF2, vdW-DF-cx, rVV10 and PBE-D. Two…
Spin wave modes confined in a ferromagnetic film by the spatially inhomogeneous magnetic field generated by a scanned micromagnetic tip of a ferromagnetic resonance force microscope (FMRFM) enable microscopic imaging of the internal fields…
A bulk phantom scalar field (with negative kinetic energy) in a sine--Gordon type potential is used to generate an exact thick brane solution with an increasing warp factor. It is shown that the growing nature of the warp factor allows the…
Ferroelectrics are characterized by domain structures as are other ferroics. At the nanoscale though, ferroelectrics may exhibit non-trivial or exotic polarization configurations under proper electrostatic and elastic conditions. These…
Strong spin-lattice coupling and prominent frustration effects observed in the 50$\%$ Fe-doped frustrated hexagonal ($h$)LuMnO$_3$ are reported. A N\'{e}el transition at $T_{\mathrm N} \approx$ 112~K and a possible spin re-orientation…