相关论文: Itinerant Nature of Magnetism in Iron Pnictides: A…

The magnetic properties of various iron pnictides are investigated using first-principles pseudopotential calculations. We consider three different families, LaFePnO, BaFe$_2$Pn$_2$, and LiFePn with Pn=As and Sb, and find that the Fe local…

By calculating orbitally resolved Pauli susceptibilities within maximally localized Wannier orbital basis transformed from first principles band structures, we find that magnetism in Fe$_{1+x}$Te still has its itinerant origin even without…

In this review, we present a summary of experimental studies of magnetism in Fe-based superconductors. The doping dependent phase diagram shows strong similarities to the generic phase diagram of the cuprates. Parent compounds exhibit…

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)…

Magnetism and nematic order are the two non-superconducting orders observed in iron-based superconductors. To elucidate the interplay between them and ultimately unveil the pairing mechanism, several models have been investigated. In models…

The puzzling nature of magnetic and lattice phase transitions of iron pnictides is investigated via a first-principles Wannier function analysis of representative parent compound LaOFeAs. A rare ferro-orbital ordering is found to give rise…

We show that the competition between magnetism and superconductivity can be used to determine the pairing state in the iron arsenides. To this end we demonstrate that the itinerant antiferromagnetic phase (AFM) and the unconventional…

Like high Tc cuprates, the newly discovered iron based superconductors lie in close proximity to a magnetically ordered parent phase. However, while the magnetic order in parent cuprates is known to derive from a spin-spin local…

The recent discovery of superconductivity in the so-called iron-oxypnictide family of compounds has generated intense interest. The layered crystal structure with transition metal ions in planar square lattice form and the discovery of…

Magnetic spin fluctuations is one candidate to produce the bosonic modes that mediate the superconductivity in the ferrous superconductors. Up until now, all of the LaOFeAs and BaFe2As2 structure types have simple commensurate magnetic…

Since the discovery of the metallic antiferromagnetic (AF) ground state near superconductivity in iron-pnictide superconductors, a central question has been whether magnetism in these materials arises from weakly correlated electrons, as in…

I describe the issues of the competing orders in normal state of a parent and Ni-doped iron pnictide superconductor, SrF e 2 As 2 , using LMTO band structure calculation plus multi orbital dynamical mean-field theory. Strong, electronic…

We review neutron scattering investigations of the crystal structures, magnetic structures, and spin dynamics of the iron-based RFe(As,P)O (R=La, Ce, Pr, Nd), (Ba,Sr,Ca)Fe2As2, and Fe1+x(Te-Se) systems. On cooling from room temperature all…

In a wide variety of materials, such as copper oxides, heavy fermions, organic salts, and the recently discovered iron pnictides, superconductivity is found in close proximity to a magnetically ordered state. The character of the proximate…

I review works on Fe-based superconductors which depart from a metal with well defined Fermi surfaces and Fermi liquid-type quasiparticles. I consider normal state instabilities -- SDW magnetism and nematic order, and superconductivity, all…

Theoretical calculations are performed to understand the electronic structure and magnetic properties of CuFe$_2$Ge$_2$. The band structure reveal large electron density $N(E_F)$ at the Fermi level suggesting strong itinerant character of…

We performed spin-polarized density functional calculations of lanthanide-series (Ln) iron oxypnictides LnFeAsO (Ln=La, Ce, Pr, Nd, Sm, and Gd) with constrained Fe magnetic moments, finding that in-plane dxy and out-of-plane dyz orbital…

We predict atomic, electronic, and magnetic structures of a hypothetical compound LaOFeSb by first-principles density-functional calculations. It is shown that LaOFeSb prefers a stripe-type antiferromagnetic phase (i.e., spin density wave…

By applying density functional theory, we find strong evidence for an itinerant nature of magnetism in two families of iron pnictides. Furthermore, by employing dynamical mean field theory with continuous time quantum Monte Carlo as an…

We examine the appearance of the experimentally-observed stripe spin-density-wave magnetic order in five different orbital models of the iron pnictide parent compounds. A restricted mean-field ansatz is used to determine the magnetic phase…