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We report density functional calculations of the electronic structure, Fermi surface, phonon spectrum, magnetism and electron-phonon coupling for the superconducting phase FeSe, as well as the related compounds FeS and FeTe. We find that…

Superconductivity · Physics 2008-10-14 Alaska Subedi , Lijun Zhang , David J. Singh , Mao-Hua Du

We investigate a well defined heterostructure constituted by magnetic Fe layers sandwiched between graphene (Gr) and Ir(111). The challenging task to avoid Fe-C solubility and Fe-Ir intermixing has been achieved with atomic controlled Fe…

We use angle resolved photoemission spectroscopy (ARPES) to study the band structure of BaFe2As2 and CaFe2As2, two of the parent compounds of the iron arsenic high temperature superconductors. We find clear evidence for band back folding…

Antiferromagnetism is relevant to high temperature (high-Tc) superconductivity because copper oxide and iron arsenide high-Tc superconductors arise from electron- or hole-doping of their antiferromagnetic (AF) ordered parent compounds.…

Superconductivity · Physics 2010-02-07 Jun Zhao , D. T. Adroja , Dao-Xin Yao , R. Bewley , Shiliang Li , X. F. Wang , G. Wu , X. H. Chen , Jiangping Hu , Pengcheng Dai

Altermagnets are a newly identified class of magnets with nodal spin-split band structures, providing a fertile platform for studying unconventional superconductivity and intertwined orders. Here we investigate multicomponent…

Superconductivity · Physics 2026-03-06 Xuan Zou , Rafael M. Fernandes , Eduardo Fradkin

An investigation of the structural, magnetic, thermodynamic, and charge transport properties of non-centrosymmetric hexagonal ScFeGe reveals it to be an anisotropic metal with a transition to a weak itinerant incommensurate helimagnetic…

The study of competing ground states is a central issue in condensed matter physic. In this article we will discuss the interplay of antiferromagnetic order and unconventional superconductivity in Ce based heavy-fermion compounds. In all…

Strongly Correlated Electrons · Physics 2015-05-28 Georg Knebel , Dai Aoki , Jacques Flouquet

We report pressure-dependent neutron diffraction and muon spin relaxation/rotation measurements combined with first-principles calculations to investigate the structural, magnetic, and electronic properties of BaFe$_2$S$_3$ under pressure.…

Within the framework of density functional theory we investigate the nature of magnetism in various families of Fe-based superconductors. (i) We show that magnetization of stripe-type antiferromagnetic order always becomes stronger when As…

Superconductivity · Physics 2010-03-11 Yu-Zhong Zhang , Ingo Opahle , Harald O. Jeschke , Roser Valenti

We present a detailed electronic structure study of the non-centrosymmetric superconductor BiPd based on our angle resolved photoemission spectroscopy (ARPES) measurements and Density Functional Theory (DFT) based calculations. We observe a…

Superconductivity · Physics 2023-10-31 H. Lohani , P. Mishra , Anurag Gupta , V. P. S. Awana , B. R. Sekhar

The magnetic order in CaK(Fe[1-x]Ni[x])4As4 (1144) single crystals (x = 0.051 and 0.033) has been studied by neutron diffraction. We observe magnetic Bragg peaks associated to the same propagation vectors as found for the collinear stripe…

FeSe$_{1-x}$S$_{x}$ superconductors are commonly considered layered van der Waals materials with negligible inter-layer coupling. Here, using inelastic neutron scattering to study spin excitations in single-crystal samples, we reveal that…

We argue that the newly discovered superconductivity in a nearly magnetic, Fe-based layered compound is unconventional and mediated by antiferromagnetic spin fluctuations, though different from the usual superexchange and specific to this…

Superconductivity · Physics 2015-05-13 I. I. Mazin , D. J. Singh , M. D. Johannes , M. H. Du

We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…

Strongly Correlated Electrons · Physics 2015-08-19 Michi-To Suzuki , Ryotaro Arita , Hiroaki Ikeda

High-resolution angle- and spin-resolved photoemission spectroscopy (ARPES) of the triple-layered ruthenate Sr$_4$Ru$_3$O$_{10}$ reveals features of the electronic structure that extend our understanding of the layered strontium ruthenates.…

Strongly Correlated Electrons · Physics 2025-03-27 Prosper Ngabonziza , Jonathan D. Denlinger , Alexei V. Fedorov , Gang Cao , J. W. Allen , G. Gebreyesus , Richard M. Martin

Superconducting pnictides are widely found to feature spin-singlet pairing in the vicinity of an antiferromagnetic phase, for which nesting between electron and hole Fermi surfaces is crucial. LiFeAs differs from the other pnictides by (i)…

Superconductivity · Physics 2011-02-11 P. M. R. Brydon , M. Daghofer , C. Timm , J. van den Brink

We revisit bulk FeSe through the systematic first-principles electronic structure calculations. We find that there are a series of staggered $n$-mer antiferromagnetic (AFM) states with corresponding energies below that of the collinear AFM…

Superconductivity · Physics 2016-06-08 Kai Liu , Zhong-Yi Lu , Tao Xiang

We have studied the electronic and magnetic structures of the ternary iron arsenides AFe$_2$As$_2$ (A = Ba, Ca, or Sr) using the first-principles density functional theory. The ground states of these compounds are in a collinear…

Materials Science · Physics 2010-05-21 Fengjie Ma , Zhong-Yi Lu , Tao Xiang

Inelastic neutron scattering measurements demonstrate that the magnetic interactions in antiferromagnetic LaFeAsO are two-dimensional. Spin wave velocities within the Fe layer and the magnitude of the spin gap are similar to the…

Angle resolved photoemission spectroscopy (ARPES) reveals the features of the electronic structure of quasi-two-dimensional crystals, which are crucial for the formation of spin and charge ordering and determine the mechanisms of…

Superconductivity · Physics 2012-10-09 A. A. Kordyuk