Related papers: Electronic Structure Calculations of CeRh$_{3}$B$_…

By the first-principles electronic structure calculations, we find that the ground state of ternary iron selenides AFe$_2$Se$_2$ (A=K, Cs, or Tl) is in a bi-collinear antiferromagnetic order, in which the Fe local moments ($\sim2.8\mu_B$)…

In order to unveil the 4f electronic structures in cerium monopnictides (CeX, where X = N, P, As, Sb, and Bi), we employed a state-of-the-art first-principles many-body approach, namely the density functional theory in combination with the…

Two-dimensional (2D) magnetic materials with strong magnetostriction are interesting systems for strain-tuning the magnetization, enabling potential for realizing spintronic and nanomagnetic devices. Realizing this potential requires…

We use the coupled 2d-spin-3d-fermion model proposed by Rosch {\sl et. al.} (Phys. Rev. Lett. {\bf 79}, 159 (1997)) to study the thermoelectric behaviour of a heavy fermion compound when it is close to an antiferromagnetic quantum critical…

Recently discovered heavy fermion CeRh$_{2}$As$_{2}$ compound crystallizes in the nonsymmorphic $P4/nmm$ symmetry, which enables the occurrence of topological protection. Experimental results show that this material exhibits unusual…

Employing {\it ab initio} electronic structure calculations we extensively study ternary Heusler compounds having the chemical formula X$_2$X$^\prime$Z, where X = Mn, Fe or Co; Z = Al or Si; and X$^\prime$ changes along the row of 4$d$…

The electronic structures of the ground state for several different superconducting materials, such as cuprates, conventional 3-dimensional superconductors, doped semiconductors and low-dimensional systems, are quite different and sometimes…

Quantum oscillation phenomenon is an essential tool to understand the electronic structure of quantum matter. Here we report a systematic study of quantum oscillations in the electronic specific heat $C_{el}$ in natural graphite. We show…

The electronic structures of ThCr$_2$Si$_2$ structure BaCu$_2$As$_2$ and SrCu$_2$As$_2$ are investigated using density functional calculations. The Cu $d$ orbitals are located at 3 eV and higher binding energy, and are therefore chemically…

We have performed powder neutron diffraction on the new superconductor, CeNi$_{0.8}$Bi$_2$ with a superconducting transtion temperature $T_\textrm{c} \sim$ 4.2 K. The structural parameters of this compound at room temperature are determined…

We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFe$_{2}$O$_{4}$, Fe$_{3}$O$_{4}$, CoFe$_{2}$O$_{4}$, and…

The noncentrosymmetric ferromagnet Cr11Ge19 has been investigated by electrical transport, AC and DC magnetization, heat capacity, x-ray diffraction, resonant ultrasound spectroscopy, and first principles electronic structure calculations.…

The results of investigations of intercalated compounds Cr_xTiSe_2 and Co_xTiSe_2 by X-ray photoelectron spectroscopy (XPS) and X-ray emission spectroscopy (XES) are presented. The data obtained are compared with theoretical results of…

We report thermoelectric studies of FeS$_{1-x}$Se$_x$ ($x$ = 0, 0.06) superconducting single crystals that feature high irreversibility fields and critical current density $J_c$ comparable to materials with much higher superconducting…

The single molecule magnet (SMM) bis(phthalocyaninato)terbium (III) (TbPc$_2$) has attracted steady research attention as an exemplar system for realizing molecule-based spin electronics. In this paper, we report on the spontaneous…

The finite-temperature transport properties of FeRh compounds are investigated by first-principles Density Functional Theory-based calculations. The focus is on the behavior of the longitudinal resistivity with rising temperature, which…

We theoretically analyze the surface density of states of heavy fermion materials such as CeCoIn$_5$. Recent experimental progress made it possible to locally probe the formation of heavy quasi-particles in these systems via scanning…

Through advanced experimental techniques on CrI$_{3}$ single crystals, we derive a previously not discussed pressure-temperature phase diagram. We find that $T_{c}$ increases to $\sim$ 66\,K with pressure up to $\sim$ 3\,GPa followed by a…

We investigate the electronic structure of Sr$_2$FeMoO$_6$ combining photoemission spectroscopy with a wide range of photon energies and electronic structure calculations based on first-principle as well as model Hamiltonian approaches to…

We have measured Ce 4f spectral weights of extremely $\alpha$-like Ce-transition metal intermetallic compounds CeRh$_x$ (x=2,3) and CeNi$_x$ (x=2,5) by using the {\it bulk-sensitive} resonant photoemission technique at the Ce…