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The electronic structure of quasi-one-dimensional superconductor K$_2$Cr$_3$As$_3$ is studied through systematic first-principles calculations. The ground state of K$_2$Cr$_3$As$_3$ is paramagnetic but very close to a ferromagnetic…

Superconductivity · Physics 2015-11-03 Hao Jiang , Guanghan Cao , Chao Cao

Electronic structure of a newly discovered antiperovskite superconductor MgCNi$_3$ is investigated by using the LMTO band method. The main contribution to the density of states (DOS) at the Fermi energy $E_{\rm F}$ comes from Ni 3$d$ states…

Superconductivity · Physics 2007-05-23 J. H. Shim , S. K. Kwon , B. I. Min

We present results of all-electron electronic structure calculations for the recently discovered d electron heavy fermion compound LiV_2O_4. The augmented spherical wave calculations are based on density functional theory within the local…

Strongly Correlated Electrons · Physics 2009-10-31 V. Eyert , K. -H. Hoeck , S. Horn , A. Loidl , P. S. Riseborough

Novel electronic phenomena frequently form in heavy fermions as a consequence of the mutual nature of localization and itineracy of f electrons. On the magnetically ordered side of the heavy fermion phase diagram, f moments are expected to…

We performed thermal conductivity measurements on a single crystal of the ferromagnetic superconductorUCoGe under magnetic field. Two different temperature dependencies of the thermal conductivity are observed, for H//b linear at low…

Superconductivity · Physics 2014-10-13 Ludovic Howald , Mathieu Taupin , Dai Aoki

We report on theoretical studies on ferromagnetic superconductors, URhGe, and UCoGe and identifies the pairing state as a non-unitary spin-triplet one, analogous to superfluid $^3$He-A phase. A recently found superconductor UTe$_2$ with…

Superconductivity · Physics 2021-07-28 Kazushige Machida

Lifshitz transitions are being increasingly recognised as significant in a wide variety of strongly correlated and topological materials, and understanding the origin and influence of Lifshitz transitions is leading to deeper understanding…

Strongly Correlated Electrons · Physics 2023-04-17 Roos Leenen , Dai Aoki , Georg Knebel , Alexandre Pourret , Alix McCollam

The electronic structures of R2Fe3Si5 (where R = Lu, Tm, Er, Tb, Yb) intermetallics have been calculated from first principles in local-spin density (LSDA) and LSDA + U approaches. The majority of rare-earth iron silicides, except for the…

Superconductivity · Physics 2014-09-08 M. J. Winiarski , M. Samsel-Czekała

Unambiguous evidence for the microscopic coexistence of ferromagnetism and superconductivity in UCoGe ($T_{\rm Curie} \sim 2.5$ K and $T_{\rm SC}$ $\sim$ 0.6 K) is reported from $^{59}$Co nuclear quadrupole resonance (NQR). The…

The electronic structure, magnetic and structural properties of the superconductor ThFeAsN are discussed in relation to the Fe-pnictide and Fe-chalcogenide superconductors based on results of first principles calculations. The electronic…

Superconductivity · Physics 2016-06-30 D. J. Singh

The coexistence of ferromagnetism and superconductivity in RuSr$_2$GdCu$_2$O$_8$ was reported both from experiments (by Tallon et. al.) and first-principles calculations (by Pickett et. al.). Here we report that our first-principles…

Superconductivity · Physics 2009-10-31 K. Nakamura , K. T. Park , A. J. Freeman , J. D. Jorgensen

We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional…

Materials Science · Physics 2007-05-23 B. R. K. Nanda , I. Dasgupta

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…

Superconductivity · Physics 2018-01-01 Amalia I. Coldea , Matthew D. Watson

We have investigated the impact of Ru substitution for Co on the behavior of the ferromagnetic superconductor UCoGe by performing x-ray diffraction, magnetization, specific heat and electrical resistivity measurements on polycrystalline…

Strongly Correlated Electrons · Physics 2015-08-03 Michal Vališka , Jiří Pospíšil , Vladimír Sechovský , Martin Diviš , Mohsen M. Abd-Elmeguid

Optical properties of ferromagnetic half-metallic full-Heusler Co$_{2}$FeGe alloy are investigated experimentally and theoretically. Co$_{2}$FeGe thin films were obtained by DC magnetron sputtering and show the saturation magnetization at…

Materials Science · Physics 2015-06-11 N. V. Uvarov , Y. V. Kudryavtsev , A. F. Kravets , A. Ya. Vovk , R. P. Borges , M. Godinho , V. Korenivski

Electronic structure and magnetic properties for iron-selenide KFe$_2$Se$_2$ are studied by first-principles calculations. The ground state is stripe-like antiferromagnetic with calculated 2.26 $\mu_B$ magnetic moment on Fe atoms; and the…

Superconductivity · Physics 2015-05-20 Chao Cao , Jianhui Dai

We report calculations of the electronic structure and magnetic properties of YFe$_2$Ge$_2$ and discuss the results in terms of the observed superconductivity near magnetism. We find that YFe$_2$Ge$_2$ is a material near a magnetic quantum…

Superconductivity · Physics 2014-01-22 David J. Singh

With angle-resolved photoemission spectroscopy, we studied the electronic structure of TaFe$_{1.23}$Te$_3$, which is a two-leg spin ladder compound with a novel antiferromagnetic ground state. Quasi-two-dimensional Fermi surface is…

Based on density functional calculations, the relationship between magnetism or superconductivity and electronic states around Fermi level were derived, and the location of the Fermi level in nonmagnetic "form" of Laves-phase compounds is…

Materials Science · Physics 2007-05-23 Xing-Qiu Chen , Shu-Lan Wang , Xue-Yong Ding , Xiang-Xun Xue

In a large number of rare-earth and actinide systems, Kondo effect tends to suppress magnetic order by making the spin singlet between localized and conduction electron spins. In the presence of orbital degrees of freedom, however, there…

Strongly Correlated Electrons · Physics 2016-08-16 Yoshio Kuramoto