Related papers: First-Principles Electronic Structure of Solid Pic…
Detailed electronic structure calculations of picene clusters doped by potassium modeling the crystalline K3picene structure show that while two electrons are completely transferred from potassium atoms to the LUMO of pristine picene, the…
25 years after discovery of high-temperature superconductivity (HTSC) in La$_{2-x}$Ba$_x$CuO$_4$ (LBCO), the HTSC continues to pose some of the biggest challenges in materials science. Cuprates are fundamentally different from conventional…
We propose an experimental approach, by which thin films of copper polyphthalocyanine (CuPPC) can be directly synthesized in a chemical vapor deposition (CVD) set-up at mild temperature (420 {\deg}C). High polymerization degree and high…
In this article, we review the recent discoveries of exotic phenomena in graphene, especially superconductivity. It has been theoretically suggested for more than one decade that superconductivity may emerge in doped graphene-based…
Since the discovery of superconductivity in the alkali-doped fullerenes \cite{hebard}, the electron-phonon interaction has been the primary suspect for superconductivity in this class of compounds. In this paper we first provide a…
The electronic band structure of graphene in the presence of spin-orbit coupling and transverse electric field is investigated from first principles using the linearized augmented plane-wave method. The spin-orbit coupling opens a gap at…
While topological superconductors are predicted to provide building blocks for fault-tolerant quantum computing, one of the remaining challenges is to find a convenient experimental platform that would allow patterning of circuits. We find…
The mechanism of high temperature superconductivity in the iron-based superconductors remains an outstanding issue in condensed matter physics. The electronic structure, in particular the Fermi surface topology, is considered to play an…
Superconductivity with transition temperature $T_c=1.7$ K has been reported in bilayer graphene [1,2]. The main factors, which may shed light on the mechanism of the formation of this superconductivity, are the following. Superconductivity…
A key to understand how electrons behave in crystalline solids is the band structure that connects the energy of electron waves to their wavenumber (k). Even in the phase of matter with only short-range order (liquid or amorphous solid),…
First order phase transitions, where one phase replaces another by virtue of a simple crossing of free energies, are best known between solids, liquids and vapours, but they also occur in a wide range of other contexts, including even…
Recent realizations of exotic topological states in condensed matter and cold atoms have advanced the exploration for topological characteristics, such as invariant topological orders and band inversion. Here we construct a 1D optical…
We perform first-principles calculation to study the electronic structure of HgBa$_{2}$Ca$_{n-1}$Cu$_{n}$O$_{2n+2+x}$ copper oxides up to $n = 6$ for the undoped parent compound $(x = 0)$ and up to $n = 3$ for the doped compound $(x > 0)$…
The first-principles calculations have been performed to investigate the ground state properties of cubic scandium trifluoride (ScF$_3$) perovskite. Using modified hybrid exchange-correlation functionals within the density functional theory…
The electronic structure of the reentrant superconductor Eu(Fe$_{0.86}$Ir$_{0.14}$)$_{2}$As$_{2}$ (T$_c$ = 22 K) with coexisting ferromagnetic order (T$_M$ = 18 K) is investigated using angle-resolved photoemission spectroscopy (ARPES) and…
This article reports the experimentally clarified crystal structure of a recently discovered sulfur hydride in high temperature superconducting phase which has the highest critical temperature Tc over 200 K which has been ever reported. For…
High-temperature superconductivity (HTSC) remains one of the most challenging and fascinating mysteries in condensed matter physics. Recently, superconductivity with transition temperature exceeding liquid-nitrogen temperature is discovered…
We report the crystal growth and structural and electronic properties of superconducting, van der Waals layered PtTe. Easily cleavable crystals with a plate-like morphology consistent with the layered structure were grown from a platinum…
We study superconductivity in doped solid picene (C22H14) with linear response calculations of the phonon spectrum and electron-phonon (ep) interaction. We show that the coupling of the high-energy C bond-stretching phonons to the {\pi}…
An ideal one-dimensional electronic system is formed along atomic chains on Au-decorated vicinal silicon surfaces but the nature of its low temperature phases has been puzzled for last two decades. Here, we unambiguously identify the low…