Related papers: First-Principles Electronic Structure of Solid Pic…
Hexagonal FeSe thin films were grown on SrTiO3 substrates and the temperature and thickness dependence of their electronic structures were studied. The hexagonal FeSe is found to be metallic and electron doped, whose Fermi surface consists…
First principles investigations of the high temperature superconducting system Ba$_2$CuO$_{3+\delta}$, recently discovered at $\delta\approx0.2$ at $T_c=70$ K, are applied to demonstrate the effects of oxygen ordering on the electronic and…
Graphene is at the forefront of condensed matter sciences, because of a variety of interesting phenomena it supports. If graphene could support high Tc superconductivity, after doping for example, it will make it even more valuable. Some…
Ta$_4$Pd$_3$Te$_{16}$ is a recently discovered superconductor that has been suggested to be an unconventional superconductor near magnetism. We report electronic structure calculations showing that in spite of the layered crystal structure…
We use angle-resolved photoemission spectroscopy (ARPES) to investigate the electronic properties of the newly discovered oxypnictide superconductor, NdFeAsO_{1-x}F_x. We find a well-defined Fermi surface that consists of a large hole…
Ultrathin semiconductors present various novel electronic properties. The first experimental realized two-dimensional (2D) material is graphene. Searching 2D materials with heavy elements bring the attention to Si, Ge and Sn. 2D buckled…
Quantum spin liquids (QSLs), in which spins are highly entangled, have been considered a groundwork for generating exotic superconductivity.Despite numerous efforts, superconductivity emerging from QSLs has been unrealized in actual…
Obtaining the electronic structure of the newly discovered iron-based superconductors is the key to understanding the mechanism of their high-temperature superconductivity. We used angle-resolved photoemission spectroscopy (ARPES) to make…
Angle resolved photoemission (ARPES) data from the electron doped cuprate superconductor Sm$_{1.86}$Ce$_{0.14}$CuO$_4$ shows a much stronger pseudo-gap or "hot-spot" effect than that observed in other optimally doped $n$-type cuprates.…
First-principles calculations were performed to investigate the electronic structure of two-dimensional (2-D) Ge, Sn, and Pb without and with the presence of an external electric field in combination with spin-orbit coupling. Tight-binding…
For the first time, basing both on experimental facts and our theoretical consideration, we show that Fermi systems with flat bands should be tuned with the superconducting state. Experimental measurements on magic-angle twisted bilayer…
Silicene has been synthesized recently, with experimental evidence showing possible superconductivity in the doped case. The noncoplanar low-buckled structure of this material inspires us to study the pairing symmetry of the doped system…
We have examined theoretically the electronic band structure and Fermi surface of tetragonal low-temperature superconductor Bi2Pd. Our main results are that (i) the Pd 4d and Bi 6p states determine the main peculiarities of the…
The recent report of superconductivity in the Cu-doped PbPO compound stimulates the extensive researches on its physical properties. Herein, the detailed atomic and electronic structures of this compound are investigated, which are the…
Topological insulators embody a new state of matter characterized entirely by the topological invariants of the bulk electronic structure rather than any form of spontaneously broken symmetry. Unlike the 2D quantum Hall or quantum…
We argue that doped twisted bilayer graphene with magical twist angle can become superconducting. In our theoretical scenario, the superconductivity coexists with the spin-density-wave-like ordering. Numerical mean-field analysis…
We employ first-principles techniques tailored to properly describe semiconductors (modified Becke-Johnson potential added to the exchange-correlation functional), to obtain the electronic band structures of both the zinc-blende and…
Electron-doped TiNCl is a superconductor, for which exotic mechanisms of the superconductivity have been discussed. However, difficulty in preparing large single-phase samples has prevented the direct observation of its electronic structure…
In the family of iron-based superconductors, LaFeAsO-type materials possess the simplest electronic structure due to their pronounced two-dimensionality. And yet they host superconductivity with the highest transition temperature Tc=55K.…
Designing molecular organic semiconductors with distinct frontier orbitals is key for the development of devices with desirable properties. Generating defined organic nanostructures with atomic precision can be accomplished by on-surface…