Related papers: Nanoscale Electronic Phase Separation Driven by Fe…
Strongly correlated materials often exhibit an electronic phase separation (EPS) phenomena whose domain pattern is random in nature. The ability to control the spatial arrangement of the electronic phases at microscopic scales is highly…
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…
The simultaneous condensation of electronic and structural degrees of freedom gives rise to new states of matter, including superconductivity and charge-density-wave formation. When exciting such a condensed system, it is commonly assumed…
Among the Fe-based superconductors, Fe$_{1+y}$Te$_{1-x}$Se$_{x}$ is unique in that its crystal structure is the simplest and the electron correlation level is the strongest, and thus it is important to investigate the…
Altermagnets exhibit spin-split electronic bands like ferromagnets, yet they are magnetically compensated like collinear antiferromagnets. Altermagnets thus combine the benefits of ferromagnets and antiferromagnets, opening routes to…
The mechanical response of third-generation advanced high-strength steels is governed by phase transformations at the nanoscale, yet the coupled evolution of chemistry and crystallography remains poorly resolved. Here we apply a correlative…
Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties…
On the basis of the density functional calculations in combination with the supercell approach, we report on a complete study of the influences of atomic arrangement and Ni substitution for Al on the ground state structural and magnetic…
The structural distortion and magnetoelastic coupling induced through commensurate magnetism has been investigated by neutron diffraction in structurally related MnWO$_4$ and NaFe(WO$_4$)$_2$. Both systems exhibit a competition of…
We have studied the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) phases of Fe alloyed with 25 at. % of Ni at Earth's core conditions using an ab initio local density approximation + dynamical…
The properties of iron-based superconductors (Fe-SCs) can be varied dramatically with the introduction of dopants and atomic defects. As a pressing example, FeSe, parent phase of the highest-$T_c$ Fe-SC, exhibits prevalent defects with…
The coexistence and competition between superconductivity and electronic orders, such as spin or charge density waves, have been a central issue in high transition-temperature (${T_{\rm c}}$) superconductors. Unlike other iron-based…
Based on first-principles density-functional theory calculations we investigate the electronic structure of hexanuclear "ferric wheels" M Fe_6[N(CH_2 CH_2 O)_3]_6 Cl (M = Li, Na) in their antiferromagnetic ground state. The electronic…
Recently discovered 2D van der Waals magnetic materials, and specifically Iron-Germanium-Telluride ($\rm Fe_{5}GeTe_{2}$), have attracted significant attention both from a fundamental perspective and for potential applications. Key open…
By the first-principles electronic structure calculations, we find that the ground state of PbO-type tetragonal $\alpha$-FeTe is in a bi-collinear antiferromagnetic state, in which the Fe local moments ($\sim2.5\mu_B$) are ordered…
We investigate the pressure phase diagram of FeTe, predicting structural and magnetic properties in the normal state at zero temperature within density functional theory (DFT). We carefully examined several possible different crystal…
Nematicity is ubiquitous in electronic phases of high transition temperature superconductors, particularly in iron-based superconductors (IBSCs). Order parameter that characterizes the nematic phase has been investigated in momentum space,…
The design of quantum states at heterointerfaces has enabled a variety of emergent phenomena. Among them, molecular intercalation superlattices have attracted attention as tunable hybrid materials, formed by inserting organic molecules into…
Controlling magnetism by purely electrical means is a key challenge to better information technology1. A variety of material systems, including ferromagnetic (FM) metals2,3,4, FM semiconductors5, multiferroics6,7,8 and magnetoelectric (ME)…
We report on an apparent low-energy nanoscale electronic inhomogeneity in FeSe$_{0.4}$Te$_{0.6}$ due to the distribution of selenium and tellurium atoms revealed through unsupervised machine learning. Through an unsupervised clustering…