相关论文: Electronic Structure, Local Moments and Transport …

Isoelectronic substitution is an ideal tuning parameter to alter electronic states and correlations in iron-based superconductors. As this substitution takes place outside the conducting Fe planes, the electronic behaviour is less affected…

FeSe is a fascinating superconducting material at the frontier of research in condensed matter physics. Here we provide an overview on the current understanding of the electronic structure of FeSe, focusing in particular on its low energy…

The electronic and magnetic bulk properties of half-metallic Heusler alloys such as Co$_{2}$FeSi, Co$_{2}$FeAl, Co$_{2}$MnSi and Co$_{2}$MnAl are investigated by means of {\em ab initio} calculations in combination with Monte Carlo…

A new type of Weyl semimetal state, in which the energy values of Weyl nodes are not the local extrema, has been theoretically proposed recently, namely type II Weyl semimetal. Distinguished from type I semimetal (e.g. TaAs), the Fermi…

We calculate from first principles the electronic structure, relaxation and magnetic moments in small Fe particles, applying the numerical local orbitals method in combination with norm-conserving pseudopotentials. The accuracy of the…

The review considers various groups of Heusler compounds, which can have the properties of a semiconductor, a half-metallic ferromagnet, a spin gapless semiconductor, a topological semimetal, and a noncollinear antiferromagnet. In these…

We report quantum oscillation measurements on CaFe2As2 under strong magnetic fields- recently reported to become superconducting under pressures of as little as a kilobar. The largest observed carrier pocket occupies less than 0.05 % of the…

The orthorhombic uranium dichalcogenide UTe$_2$ displays superconductivity below 1.7 K, with the anomalous feature of retaining 50$\%$ of normal state (ungapped) carriers, according to heat capacity data from two groups. Incoherent…

Electron correlations tend to generate local magnetic moments that usually order if the lattices are not too frustrated. The hexagonal compound SrRu$_2$O$_6$ has a relatively high Neel temperature but small local moments, which seem to be…

Epitaxial thin films of the substitutionally alloyed half-Heusler series CoTi$_{1-x}$Fe$_x$Sb were grown by molecular beam epitaxy on InAlAs/InP(001) substrates for concentrations 0.0$\leq$x$\leq$1.0. The influence of Fe on the structural,…

We investigate the transition between elastic and viscous regimes for time-reversal broken Weyl semimetals. In these materials, Hall transport occurs through two parallel channels: the Fermi sea and the Fermi surface. The Fermi sea part…

Electronic structure calculations of the Verwey ground state of magnetite, Fe3O4, using density functional theory with treatment of on-site Coulomb interactions (DFT+U scheme) are reported. These calculations use the recently-published…

We report density functional calculations of electronic structure and magnetic properties of ternary iron chalcogenide TlFe$_{2}$Se$_{2}$, which occurs in the ThCr$_{2}$Si$_{2}$ structure and discuss the results in relation to the…

Magnets, with topologically-nontrivial Dirac/Weyl points, have recently attracted significant attention owing to the unconventional physical properties, such as large anomalous Hall effects. However, they typically have a high carrier…

We experimentally investigate electron transport in kagome-lattice ferromagnet Co$_3$Sn$_2$S$_2$, which is regarded as a time-reversal symmetry broken Weyl semimetal candidate. We demonstrate $dV/dI(I)$ curves with pronounced asymmetric…

Single-phase films of the full Heusler compound Fe2TiSi have been prepared by magnetron sputtering. The compound is found to be a semiconductor with a gap of 0.4eV. The electrical resistivity has a logarithmic temperature dependence up to…

We investigate the interplay of many-body and band structure effects of interacting Weyl semimetals (WSM). Attractive and repulsive Hubbard interactions are studied within a model for a time-reversal-breaking WSM with tetragonal symmetry,…

We performed a combined angle-resolved photoemission spectroscopy and scanning tunneling microscopy study of the electronic structure of electron-doped Ca$_{0.83}$La$_{0.17}$Fe$_2$As$_2$. A surface reconstruction associated with the…

Searching for high-performance thermoelectric (TE) materials in the paradigm of narrow-bandgap semiconductors has lasted for nearly 70 years and is obviously hampered by a bottleneck of research now. Here we report on the discovery of a few…

The thermoelectric (TE) properties of quaternary Heusler alloys (CoX'ZrAl; X'= V, Fe, Ir) are studied in the framework of Density Functional Theory and Boltzmann Transport Theory. The compound CoVZrAl is found to be semiconducting and the…