Related papers: Crystal structural evolution of Ru$_3$Sn$_7$ under…
A polymorph of RuI$_3$ synthesized under high pressure was found to have a two-layered honeycomb structure. The resistivity of RuI$_3$ exhibits a semimetallic behavior, in contrast to insulating properties in $\alpha$-RuCl$_3$. In addition,…
Understanding the mechanisms that drive spontaneous rotational symmetry breaking in correlated electron systems is a central challenge in condensed matter physics. Although such symmetry breaking phases have been studied in low-dimensional…
The structures of compressed rubidium polyhydrides, RbHn with n>1, and their evolution under pressure are studied using density functional theory calculations. These phases, which start to stabilize at only P=2 GPa, consist of Rb+ cations…
We report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt-In stacking along the c-direction in this layered material…
In this work we explore the phase diagram of the binary Nb-S system from ambient pressures up to 250 GPa using $ab$ $initio$ evolutionary crystal structure prediction. We find several new stable compositions and phases, especially in the…
An original mechanism is proposed for a pressure-induced transformation of orthorhombic C12 from ground state normal pressure (NP) sp2/sp3 allotrope to ultra-dense and ultra-hard HP sp3 form. Upon volume decrease, the trigonal C=C parallel…
Structural, magnetic and electrical-transport properties of {\alpha}-LiFeO2, crystallizing in the rock salt structure with random distribution of Li and Fe ions, have been studied by synchrotron X-ray diffraction, 57Fe M\"ossbauer…
Based on first-principles simulations and calculations, we explore the evolution of crystal structure, electronic structure and transport properties of quasi 2D layered PdS2 under uniaxial stress and hydrostatic pressure. The coordination…
To understand the pressure-induced changes in the electronic structure and the electron-phonon interaction in yttrium, we have studied hexagonal close-packed (hcp) yttrium, stable at ambient pressure and double hexagonal close-packed (dhcp)…
The electronic structure and structural evolution of hydrogenated graphene are investigated by Raman spectroscopy with multiple excitations. The excitation energy dependent saturation effect on the ratio of integrated intensities of D and G…
We have performed photoemission and soft x-ray absorption studies of pyrochlore-type Ru oxides, namely, the filling-control system Sm$_{2-x}$Ca$_x$Ru$_2$O$_7$ and the bandwidth-control system Sm$_{2-x}$Bi$_x$Ru$_2$O$_7$, which show…
The electronic structure of layered Sr$_{3}$Ru$_{2}$O$_{7}$ in its orthorhombic structure is investigated using density functional calculations. The band structure near the Fermi energy, consists of Ru $% t_{2g}$ states hybridized with O…
We investigate the evolution of the electronic structure in SrRu_(1-x)Ti_xO_3 as a function of x using high resolution photoemission spectroscopy, where SrRuO3 is a weakly correlated metal and SrTiO3 is a band insulator. The surface spectra…
Ruthenates comprise an interesting class of materials with a wide range of extremely exciting properties, and thus the discovery of new stable ruthenates remains an active area of investigation. We report the crystal growth and…
Pressure induced electronic topological transitions in the wide band gap semiconductor Sb2S3 (Eg = 1.7-1.8 eV) with similar crystal symmetry (SG: Pnma) to its illustrious analog, Sb2Se3, has been studied using Raman spectroscopy,…
The precise crystal structure of La3Ni2O7 in its high-pressure superconducting state has been a subject of intense debate, with proposed models including both orthorhombic and tetragonal symmetries. Using high-pressure Raman spectroscopy…
Temperature dependent high pressure electrical resistivity studies has been carried out on Ba(Fe_{1-x}Ru_{x})_{2}As_{2} single crystals with x = 0.12, 0.26 and 0.35, which correspond to under doped, optimally doped and over doped…
The Sn/Si(111)-({\sqrt}3{\times}{\sqrt}3)R30{\deg} surface, a 2D Mott insulator, has long been predicted and then found experimetally to metallize and even turn superconducting upon boron doping. In order to clarify the structural,…
Recently, the films of the Ruddlesden-Popper (RP) nickelate superconductors, in which the (La,Pr)$_3$Ni$_2$O$_7$ system exhibits a remarkable transition temperature $T_c$ exceeding 40 K, were synthesized at ambient pressure. We…
Generalized theory of the normal properties of the metal in the case of the electron-phonon (EP) systems with not constant density of electronic states is used to examine the normal state of the SH3 and SH2 phase of the hydrogen sulfide at…