相关论文: Surface Reconstructions and Bonding via the Electr…

We show that the bulk region reconstructable from a given boundary subregion --- which we term the reconstruction wedge --- can be much smaller than the entanglement wedge even when backreaction is small. We find arbitrarily large…

A procedure to obtain single-electron wavefunctions within the tight-binding formalism is proposed. It is based on linear combinations of Slater-type orbitals whose screening coefficients are extracted from the optical matrix elements of…

Study of the dephasing in electronic systems is not only important for probing the nature of their ground states, but also crucial to harnessing the quantum coherence for information processing. In contrast to well-studied conventional…

We apply density functional theory, in the local density approximation, to a quasi-one-dimensional electron gas in order to quantify the effect of Coulomb and correlation effects in modulating, and therefore patterning, the charge density…

We develop a semi-quantitative theory of electron pairing and resulting superconductivity in bulk "poor conductors" in which Fermi energy $E_F$ is located in the region of localized states not so far from the Anderson mobility edge $E_c$.…

Localized deformation patterns are a common motif in morphogenesis and are increasingly finding widespread applications in materials science, for instance as memory devices. Here we describe the emergence of spatially localized deformations…

Semi-local density functionals for the exchange-correlation energy of electrons are extensively used as it produce realistic and accurate results for finite and extended systems. The choice of techniques play crucial role in constructing…

At present, there is still no consistent interpretation of the normal and superconducting properties of Fe-based superconductors (FeSCs). The strength of the el-el interaction and the role of correlation effects are under debate. Here, we…

Recent photoemission experiments on the Si(553)-Au reconstruction show a one-dimensional band with a peculiar ~1/4 filling. This band could provide an opportunity for observing large spin-charge separation if electron-electron interactions…

At a given temperature, clean and adatom covered silicon surfaces usually exhibit well-defined reconstruction patterns. Our finite temperature ab-initio molecular dynamics calculations show that the tellurium covered Si(001) surface is an…

Quantum-electrodynamical density-functional theory (QEDFT) provides a promising avenue for exploring complex light-matter interactions in optical cavities for real materials. Similar to conventional density-functional theory, the Kohn-Sham…

The flat plane condition is the union of two exact constraints in electronic structure theory: i) energetic piecewise linearity with fractional electron removal or addition and ii) invariant energetics with change in electron spin in a half…

Recent work on atomic-precision dopant incorporation technologies has led to the creation of both boron and aluminum $\delta$-doped layers in silicon with densities above the solid solubility limit. We use density functional theory to…

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…

Iron-based superconductors offer an ideal platform for studying topological superconductivity and Majorana fermions. In this paper, we carry out a comprehensive study of the band topology and topological surface states of a number of…

High index dielectric spherical particle supports the high-$Q$ resonant Mie modes that results in a regular series of sharp resonances in the radiation pressure. A presence of perfectly conducting metal surface transforms the Mie modes into…

We investigate the physical mechanisms for achieving an electrical control of conventional spin-singlet superconductivity in thin films by focusing on the role of surface orbital polarization. Assuming a multi-orbital description of the…

In a system where selective Mott localization is realized, some electrons show a gap to charge excitations while others do not. A hybridization between these two kind of electrons will lead to a smoothening of this sharp difference and can…

This paper has been withdrawn by the authors due to new theoretical evidence and experimental proof that the semiconducting bandgap reported in this paper and ascribed to a surface region is in fact a bulk property of divalent hexaborides.…

The "density-density" correlation function of conduction electrons in metal is investigated. It is shown, that the asymptotic behaviour of the CF depends on the shape and the local geometry of the Fermi surface. In particular, the exponent…