Related papers: Ab initio Hartree-Fock with electronic correlation…
Graphene, renowned for its exceptional electronic and optical properties as a robust 2D material, traditionally lacks electronic correlation effects. Proximity coupling offers a promising method to endow quantum materials with novel…
The unconventional superconductivity in the newly discovered iron-based superconductors is intimately related to its multi-band/multi-orbital nature. Here we report the comprehensive orbital characters of the low-energy three-dimensional…
Consistent account is provided of strongly anisotropic properties in thermodynamics of MgB$_2$ under magnetic field $H$ using approximate analytic solution in the quasiclassical formalism. With the strength of the pairing interactions and…
Single-particle excitation spectra of gamma-Fe in the paramagnetic state have been investigated by means of the first-principles dynamical coherent potential approximation theory which has recently been developed. It is found that the…
The band structure of alfa-(Per)2M(mnt)2, leads to a description of these materials as nearly perfectly one dimensional conductors. The conduction is mainly along the stacking direction of the partially oxidized perylene molecules,…
The results of the first directional point-contact measurements in MgB2 single crystals, in the presence of magnetic fields up to 9 T either parallel or perpendicular to the ab planes, are presented. By applying suitable magnetic fields, we…
A systematic method to account for electron correlation in periodic systems which can predict quantitatively correct band structures of non-conducting solids from first principles is presented. Using localized Hartree-Fock orbitals (both…
Silicon quantum computing has the potential to revolutionize technology with capabilities to solve real-life problems that are computationally complex or even intractable for modern computers [1] by offering sufficient high quality qubits…
The phonon-mode decomposition of the electron-phonon coupling in the MgB2-like system Li_{1-x}BC is explored using first principles calculations. It is found that the high temperature superconductivity of such systems results from extremely…
We present a systematic study of the correlation-induced corrections to the electronic band structure of zinc-blende BN. Our investigation employs an ab initio wave-function-based local Hamiltonian formalism which offers a rigorous approach…
We determine the quantum phase diagram of the Hubbard chain with electron-hole symmetric correlated hopping at 1/2- and 1/4-filling using geometric concepts and continuum limit field theory. The long distance behavior of various correlation…
A practical electronic structure method in which a two-body functional is the fundamental variable is constructed. The basic formalism of our method is equivalent to Hartree-Fock density matrix functional theory [M. Levy in {\it Density…
The normal state and superconducting properties of MgB2 and Mg1-xAlxB2 are discussed based on structural, transport, and high pressure experiments. The positive Seebeck coefficient and its linear temperature dependence for Tc<T<160 K…
This article reviews theoretical and experimental work on the novel physics in multiband superconductors. Multiband superconductors are characterized by multiple superconducting energy gaps in different bands with interaction between Cooper…
The interplay of BCS superconductivity and nontrivial band topology is expected to give rise to opportunities for creating topological superconductors, achieved through pairing spin-filtered boundary modes via superconducting proximity…
Within the framework of non-stationary Ginzburg-Landau equations generalized on a case of two order parameters, we investigated dynamic characteristics of two-band superconducting MgB2 filaments in a voltage-driven regime. We calculated…
We report the first study of the optical conductivity of MgB2 covering the range of its superconducting energy gap. Terahertz time-domain spectroscopy is utilized to determine the complex, frequency-dependent conductivity of thin films. The…
Recent reports on quantum oscillations in MgB2 provide valuable information on three important aspects of this material: (1) electronic structure near the Fermi level, (2) disparity of the electron-phonon interaction between the two systems…
This paper reports specific-heat measurements on superconducting MgB2 in magnetic fields to 9 T. In zero magnetic field the data can be fitted to a two-gap model, which is a generalization of a semi-empirical model for strong-coupled,…
We observe charge-order fluctuations in the quasi-two-dimensional organic superconductor $\beta^{\prime\prime}$-(BEDT-TTF)2 SF5 CH2 CF2 SO3 both by means of vibrational spectroscopy, locally probing the fluctuating charge order, and…