Related papers: Effects of Pressure on the Electronic and Structur…
We perform angle-resolved photoemission spectroscopy (ARPES) measurements in conjunction with density functional theory (DFT) calculations to investigate the evolution of the electronic structure of CeBi upon a series of antiferromagnetic…
X-ray diffraction pressure studies at room temperature demonstrate that the spinel FeAl$_{2}$O$_{4}$ transforms to a tetragonal phase at ~18 GPa. This tetragonal phase has a highly irregular unit-cell volume versus pressure dependence up to…
The recent transport measurement of La$_3$Ni$_2$O$_7$ uncover a "right-triangle" shape of the superconducting dome in the pressure-temperature (P-T) phase diagram. Motivated by this, we perform theoretical first-principles studies of…
Using numerical techniques we study the spectral function $A(k,\omega)$ of a spin-fermion model for cuprates in the regime where magnetic and charge domains (stripes) are developed upon hole-doping. From $A(k,\omega)$ we study the…
The magnetic properties of monolayer FeSe films are investigated via first-principles spin-spiral calculations. Although the (pi,pi) collinear antiferromagnetic (CL-AFM) mode is lowest in energy, the spin-wave energy E(q) - which exhibits…
The antiferromagnetic kagome lattice compound FeGe has been revealed to host an emergent charge-density-wave (CDW) state which manifests complex interplay between the spin, charge and lattice degrees of freedom. Here, we present a…
The stressed heterojunctions with antiferromagnetic ordering in which the constituents have oppposite band edge symmetry and their gaps have opposite signs have been investigated. The interface states have been shown to appear in these…
The antiferromagnet CaFe$_2$As$_2$ does not become superconducting when subject to ideal hydrostatic pressure conditions, where crystallographic and magnetic states also are well defined. By measuring electrical resistivity and magnetic…
The magnetic and electronic structures of Fe4O5 have been investigated at ambient and high pressures via a combination of representation analysis, density functional theory (DFT+U) calculations, and M\"ossbauer spectroscopy. A few spin…
We present a detailed theoretical study of the electronic, magnetic, and structural properties of magnesiow\"ustite Fe$_{1-x}$Mg$_x$O with $x$ in the range between 0$-$0.875 using a fully charge self-consistent implementation of the density…
We report Shubnikov-de Haas (SdH) oscillation measurements on FeSe under high pressure up to $P$ = 16.1 kbar. We find a sudden change in SdH oscillations at the onset of the pressure-induced antiferromagnetism at $P$ $\sim$ 8 kbar. We argue…
Effects of Coulomb correlation on LaOFeAs electronic structure have been investigated by LDA+DMFT(QMC) method. The calculation results show that LaOFeAs is in the regime of intermediate correlation strength with significant part of the…
Lithium, a prototypical simple metal under ambient conditions, has a surprisingly rich phase diagram under pressure, taking up several structures with reduced symmetry, low coordination numbers, and even semiconducting character with…
Iron-based compounds (IBS) display a surprising variety of superconducting properties that seems to arise from the strong sensitivity of these systems to tiny details of the lattice structure. In this respect, systems that become…
We have performed ab initio LDA calculations of electronic structure of newly discovered prototype high-temperature superconductors AFe_2As_2 (A=Ba,Sr) and compared it with previously calculated electronic spectra of ReOFeAs…
Electrical resistivity and ac-susceptibility measurements under high pressure were carried out in high-quality single crystals of $\alpha$-Mn. The pressure-temperature phase diagram consists of an antiferromagnetic ordered phase (0<$P$<1.4…
We investigate the electronic and magnetic properties of the kagome mineral averievite (CsCl)Cu$_5$V$_2$O$_{10}$ and its phosphate analog (CsCl)Cu$_5$P$_2$O$_{10}$ using first-principles calculations. The crystal structure of these…
We discover that hcp phases of Fe and Fe0.9Ni0.1 undergo an electronic topological transition at pressures of about 40 GPa. This topological change of the Fermi surface manifests itself through anomalous behavior of the Debye sound…
The magnetism of the second antiferromagnetic phase (AF2) arising in the iron-based LaFeAsO$_{1-x}$H$_{x}$ superconductor for $x\gtrsim0.4$ was investigated by muon spin rotation measurements under hydrostatic pressure up to 2.6 GPa. The…
The magnetic phases of electron-doped infinite-layer Sr$_{1-x}$La$_x$CuO$_2$ are elucidated by first-principles density functional calculations. The antiferromagnetic parent state, metallic transition, as well as lattice evolution with…