Related papers: Magnetic Properties Controlled by Interstitial or …
The latest discovery of a new iron-chalcogenide superconductor A$_x$Fe$_{2-y}$Se$_2$(A=K, Cs, Rb, Tl and etc.) has attracted much attention due to a number of its unique characteristics, such as the possible insulating state of the parent…
We present a comprehensive comparison of the infrared charge response of two systems, characteristic of classes of the 122 pnictide (SrFe2As2) and 11 chalcogenide (Fe_1.087Te) Fe compounds with magnetically-ordered ground states. In the 122…
The importance of electron-hole interband interactions is widely acknowledged for iron-pnictide superconductors with high transition temperatures (Tc). However, high-Tc superconductivity without hole carriers has been suggested in FeSe…
The parent compound of an unconventional superconductor must contain unusual correlated electronic and magnetic properties of its own. In the high-Tc potassium intercalated FeSe, there has been significant debate regarding what the exact…
On the basis of a first-principles electronic structure theory of finite temperature metallic magnetism in layered materials, we investigate the onset of magnetic order in thin (2-8 layers) fcc-Fe films on Cu(100) substrates. The nature of…
The Mott-insulating iron oxychalcogenides exhibit complex magnetic behaviour and we report here a neutron diffraction investigation into the magnetic ordering in La2O2Fe2OS2. This quaternary oxysulfide adopts the anti-Sr2MnO2Sb2-type…
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 ($\sim2.8\mu_B$)…
The search for chiral topological superconductivity in magnetic topological insulator (TI)-FeTe heterostructures is a key frontier in condensed matter physics, with potential applications in topological quantum computing. The combination of…
Since 2008, many new families of iron-based high temperature (high-$T_c$) superconductors have been discovered \cite{Hosono,ChenXH,FeTe,ChenXL}. Unlike all parent compounds of cuprates that share a common antiferromagnetically (AF) ordered…
Recently, two-dimensional (2D) bilayer magnetic systems have been widely studied. Their interlayer magnetic interactions play a vital role in the magnetic properties. In this paper, we theoretically studied the interlayer magnetic…
Magnetism in transition metal compounds is usually considered starting from a description of isolated ions, as exact as possible, and treating their (exchange) interaction at a later stage. We show that this standard approach may break down…
We present a systematic study of higher-order exchange interactions beyond the pair-wise Heisenberg exchange in transition-metal trilayers based on density functional theory calculations. We show that these terms can play an important role…
We report on systematic ab-initio investigations of Co and Cr interlayers embedded in Fe(001)/MgO/Fe(001) magnetic tunnel junctions, focusing on the changes of the electronic structure and the transport properties with interlayer thickness.…
Metal-insulator transitions in pyrochlore iridates (A2Ir2O7) are believed to occur due to subtle interplay of spin-orbit coupling, geometric frustration, and electron interactions. In particular, the nature of magnetic ordering of iridium…
Two-dimensional (2D) layered magnets, such as iron chalcogenides, have emerged these years as a new family of unconventional superconductor and provided the key insights to understand the phonon-electron interaction and pairing mechanism.…
Superconductivity in anti-PbO-type iron chalcogenides Fe1-xTe1-ySey (x = 0, 0.1, y = 0.1 0.4) depends on the amount (x) of interstitial iron atoms located between the FeTe1-ySey layers. Non-superconducting samples of nominal Fe1.1Te1-ySey…
We study the magnetic and electronic properties of Ni-intercalated NbSe$_2$.We calculate the magnetic exchanges of Ni$_x$NbSe$_2$ ($x = 1/3, 1/4,$ and $1$) and find that the out-of-plane magnetic coupling depends on the Ni connectivity: it…
In this paper we investigate the intercalation effects of Iron (Fe) in the van der Waals gap of Bi$_2$Se$_3$ on the magnetic and transport properties using first-principles band structure estimations combined using dynamical mean-field…
Nematic orders emerge nearly universally in iron-based superconductors, but elucidating their origins is challenging because of intimate couplings between orbital and magnetic fluctuations. The iron-based ladder material BaFe2S3, which…
We use bulk magnetic susceptibility, electronic specific heat, and neutron scattering to study structural and magnetic phase transitions in Fe$_{1+y}$Se% $_x$Te$_{1-x}$. Fe$_{1.068}$Te exhibits a first order phase transition near 67 K with…