Related papers: Quasiparticle self-consistent GW study of cuprates…
Using quasiparticle self-consistent $GW$ calculations, we re-examined the electronic structure of Sr$_2$RuO$_4$ and SrRuO$_3$. Our calculations show that the correlation effects beyond the conventional LDA (local density approximation) and…
In past decades the scientific community has been looking for a reliable first-principles method to predict the electronic structure of solids with high accuracy. Here we present an approach which we call the quasiparticle self-consistent…
We have developed a new type of self-consistent scheme within the $GW$ approximation, which we call quasiparticle self-consistent $GW$ (QS$GW$). We have shown that QS$GW$ rather well describes energy bands for a wide-range of materials,…
We present an approach to calculate the electronic structure for a range of materials using the quasiparticle self-consistent GW method with vertex corrections included in the screened Coulomb interaction W. This is achieved by solving the…
We present a quasiparticle self-consistent $GW$ (QSGW) implementation for periodic systems based on crystalline Gaussian basis sets. Our QSGW approach is based on a full-frequency analytic continuation GW scheme with Brillouin zone sampling…
The condensation of an electron superfluid from a conventional metallic state at a critical temperature $T_c$ is described well by the BCS theory. In the underdoped copper-oxides, high-temperature superconductivity condenses instead from a…
High-transition-temperature (high-Tc) superconductivity is ubiquitous in the cuprates containing CuO2 planes but each cuprate has its own character. The study of the material dependence of the d-wave superconducting gap (SG) should provide…
The magnitude and the temperature dependence of the superconducting order parameter {\Delta}(T) of single-crystals of Cd2Re2O7 (Tc = 1.02 K) was measured using point contact spectroscopy. In order to fit the conductance spectra and to…
In the 35 years since the discovery of cuprate superconductors, we have not yet reached a unified understanding of their properties, including their material dependence of the superconducting transition temperature $T_{\text{c}}$. The…
We analyze the generic features of the energy spectrum for two coupled CuO$_2$ layers with a realistic extended Hubbard model. The quasiparticle bands exhibit flat regions near X(Y) points in the Brillouin zone with a large reduction of the…
Theoretical ideas and experimental results concerning high temperature superconductors are reviewed. Special emphasis is given to calculations carried out with the help of computers applied to models of strongly correlated electrons…
High-resolution photoemission has been used to study the electronic structure of the charge density wave (CDW) and superconducting (SC) dichalcogenide, 2H- NbSe2. From the extracted self-energies, important components of the quasiparticle…
We calculate the quasiparticle scattering rate in the superconducting state of the overdoped cuprates, in the context of the Eliashberg formalism for a Fermi liquid with strong van Hove singularities close to the chemical potential. For a…
Solar cells based on a light absorbing layer of the organometal halide perovskite CH$_3$NH$_3$PbI$_3$ have recently reached 15% conversion efficiency, though how these materials work remains largely unknown. We analyse the electronic…
Accurately calculating band gaps for given crystal structures is highly desirable. However, conventional first-principles calculations based on density functional theory (DFT) within the local density approximation (LDA) fail to predict…
A comprehensive angle resolved photoemission spectroscopy study of the band structure in single layer cuprates is presented with the aim of uncovering universal trends across different materials. Five different hole- and electron-doped…
Transition-metal-based Heusler semiconductors are promising materials for a variety of applications ranging from spintronics to thermoelectricity. Employing the $GW$ approximation within the framework of the FLAPW method, we study the…
Using the recently developed version of the GW method employing the one-site approximation and self-consistent quasiparticle basis set we calculated the electronic structure of 3d and 4d transition metals at experimental atomic volumes. The…
A generic theory of the quasi-particle superconducting gap in underdoped cuprates is derived in the strong coupling limit, and found to describe extremely well the experimental "second gap" in \textit{absolute scale}. In drastic contrast to…
We have developed the quasiparticle self-consistent GW (QSGW) method based on a recently developed mixed basis all-electron full-potential method (the PMT method), which uses the augmented plane waves (APWs) and the highly localized…