Related papers: Density functional study of BaNi$_2$As$_2$: Electr…

A first-principles study of the electronic and superconducting properties of the Ni$_2$VAl Heusler compound is presented. The electron-phonon coupling constant of $\lambda_{ep}$ = 0.68 is obtained, which leads to a superconducting…

We report density functional calculations of the electronic structure and Fermi surface of the BaFe$_2$As$_2$ and LiFeAs phases including doping via the virtual crystal approximation. The results show that contrary to a rigid band picture,…

Electronic structure calculations are presented for KCo$_2$As$_2$ and alloys with KFe$_2$As$_2$ and KRu$_2$As$_2$. These materials show electronic structures characteristic of coherent alloys, with a similar Fermi surface structure to that…

We present a study of the superconducting gap structure in the iron-pnictide series BaFe2(As1-xPx)2. By measuring the variation of the specific heat as a function of temperature and magnetic field we are able to determine the number and…

We report electronic structure calculations for the layered centrosymmetric superconductor LaNiGa$_2$, which has been identified as having a possible triplet state based on evidence for time reversal symmetry breaking. The Fermi surface has…

We use diffuse and inelastic x-ray scattering to study the formation of an incommensurate charge-density-wave (I-CDW) in BaNi$_2$As$_2$, a candidate system for charge-driven electronic nematicity. Intense diffuse scattering is observed…

We calculate the microwave conductivity of a two band superconductor with $s^\pm$ gap symmetry. Inelastic scattering is included approximately in a BCS model augmented by a temperature dependent quasiparticle scattering rate assumed,…

We show that electronic Raman scattering affords a window into the essential properties of the pairing potential $V_{\mathbf{k},\mathbf{k^{\prime}}}$ of iron-based superconductors. In Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ we observe band…

We use density functional theory to calculate the electronic band structures, cohesive energies, phonon dispersions, and optical absorption spectra of two-dimensional In$_2$X$_2$ crystals, where X is S, Se, or Te. We identify two…

The electron-phonon coupling of LaO$_{1-x}$F$_x$FeAs is re-investigated on the basis of density functional theory in local density approximation. The implications of the $(\pi,\pi)$ nesting of the Fermi surfaces are carefully studied and…

First principles density functional calculations within the local spin density approximation (LSDA) and the generalized gradient approximation (GGA) are reported for pyrochlore Cd$_2$Os$_2$O$_7$ and Cd$_{2}$Re$_{2}$O$_7$. The transition…

We have performed ab initio LDA calculations of electronic structure of newly discovered prototype high-temperature superconductors AFe_2As_2 (A=Ba,Sr) and compared it with previously calculated electronic spectra of ReOFeAs…

We study the electronic structure within a system of phase-decoupled one-dimensional superconductors coexisting with stripe spin and charge density wave order. This system has a nodal Fermi surface (Fermi arc) in the form of a hole pocket…

The three-dimensional Fermi surface morphology of superconducting BaFe_2(As_0.37}P_0.63)_2 with T_c=9K, is determined using the de Haas-van Alphen effect (dHvA). The inner electron pocket has a similar area and k_z interplane warping to the…

The similarity of the electronic structures of NaFeAs and other Fe pnictides has been demonstrated on the basis of first-principle calculations. The global double-degeneracy of electronic bands along X-M and R-A direction indicates the…

There has been a long-standing debate about the mechanism of the unusual superconductivity in alkali-intercalated fulleride superconductors. In this work, using high-resolution angle-resolved photoemission spectroscopy, we systematically…

We present density functional theory (DFT) calculations and a full set of X-ray spectra (resonant inelastic X-ray scattering and X-ray photoelectron spectra) measurements of single crystal CaFe2As2. The experimental valence band spectra are…

We use inelastic neutron scattering to study magnetic excitations of the FeAs-based superconductor BaFe$_{1.9}$Ni$_{0.1}$As$_2$ above and below its superconducting transition temperature $T_c=20$ K. In addition to gradually open a spin gap…

Density functional theory (DFT) based first-principles investigations of structural, elastic, electronic band structure, and optical properties of superconducting ternary phosphides (BaM2P2; M = Ni, Rh) have been carried out in this study.…

The plethora of multifold quasiparticles in topological materials has led to significant advancements in condensed matter physics, inspiring the investigation for materials that host both electronic and bosonic multifold excitations. In…