Related papers: Multipole Orders in a Chain Ferrate Na2FeSe
In conventional ferroelectrics the electric dipoles are generated by off-center displacements of ions. In recent years, a new type of so-called electronic ferroelectrics has attracted great attention, where the polarization is driven by…
Properties of two ThCr2Si2-type materials are discussed within the context of their established structural and magnetic symmetries. Both materials develop collinear, G-type antiferromagnetic order above room temperature, and magnetic ions…
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…
We present a density functional theory study of the low-temperature structural, magnetic, and proposed charge-quadrupolar ordering in the double perovskite, Ba$_2$MgReO$_6$. Ba$_2$MgReO$_6$ is a spin-orbit-driven Mott insulator with a…
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 ($\sim2.8\mu_B$)…
Multiferroics are compounds in which at least two ferroic orders coexist - typically (anti)ferromagnetism and ferroelectricity. While magnetic order can arise in both insulating and conducting compounds, ferroelectricity is in principle not…
Intertwined spin and charge orders have been widely studied in high-temperature superconductors, since their fluctuations may facilitate electron pairing; however, they are rarely identified in heavily electron-doped iron selenides. Here,…
We demonstrate computationally the existence of magnetoelectric multipoles, arising from the second order term in the multipole expansion of a magnetization density in a magnetic field, in noncentrosymmetric magnetic metals. While…
The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…
Electronic nematicity is an important order in most iron-based superconductors, and FeSe represents a unique example, in which nematicity disentangles from spin ordering. It is commonly perceived that this property arises from strong…
The chromium arsenides BaCr2As2 and BaCrFeAs2 with ThCr2Si2 type structure (space group I4/mmm; also adopted by '122' iron arsenide superconductors) have been suggested as mother compounds for possible new superconductors. DFT-based…
The Fe intercalated transition metal dichalcogenide (TMD), Fe$_{1/3}$NbS$_2$, exhibits remarkable resistance switching properties and highly tunable spin ordering phases due to magnetic defects. We conduct synchrotron X-ray scattering…
A new chiral phase of ferric ions in bismuth ferrite, the only material known to support multiferroic behaviour at room temperature, is inferred from extensive sets of data gathered by resonant x-ray Bragg diffraction. Values of all ferric…
The pressure effects on the antiferromagentic orders in iron-based ladder compounds CsFe$_2$Se$_3$ and BaFe$_2$S$_3$ have been studied using neutron diffraction. With identical crystal structure and similar magnetic structures, the two…
Structural and magnetic transitions in a double perovskite hosting 5d1 Re ions are discussed on the basis of recently published high-resolution x-ray diffraction patterns [D. Hirai, et al., Phys. Rev. Res. 2, 022063(R) (2020)]. A reported…
Electronically driven nematic order is often considered as an essential ingredient of high-temperature superconductivity. Its elusive nature in iron-based supercon- ductors resulted in a controversy not only as regards its origin but also…
Iron chalcogenides display a rich variety of electronic orders in their phase diagram. A particularly enigmatic case is FeTe, a metal which possesses co-existing hole and electron Fermi surfaces as in the iron pnictides but has a distinct…
In this contribution to the special issue on multiferroics we focus on multiferroicity driven by different forms of charge ordering. We will present the generic mechanisms by which charge ordering can induce ferroelectricity in magnetic…
We investigate the electronic structure and the ferroelectric properties of the recently discovered multiferroic ScFeO$_3$ by means of ab-initio calculations. The $3d$ manifold of Fe in the half-filled configuration naturally favors an…
A theoretical investigation of a plausible construct for electronic structure in iridate perovskites demonstrates the existence of magnetic multipoles hitherto not identified. The strange multipoles, which are parity-even, time-odd and even…