Related papers: Stability of Metallic Structure in Compressed Soli…
Solid rigidity and liquid-scale mobility are thought incompatible in elemental substances. One cannot have an elemental solid that is long-range positionally ordered wherein the atoms flow like in a liquid simultaneously. The only exception…
Evolutionary structure searches are used to predict stable phases with unique stoichiometries in the hydrogen-rich region of the magnesium/hydrogen phase diagram under pressure. MgH$_4$, MgH$_{12}$ and MgH$_{16}$ are found to be…
For seven decades by A-15 superconductors we meant metallic $A_3B$ alloys (where A is a transition metal, and B is groups IIIB and IVB element) discovered by Hardy and Hulm (Phys. Rev. 89, 884 (1953)). Nb3Ge exhibited the highest…
The temperature dependent electrical resistivity of single crystalline SrFe2As2 and BaFe2As2 has been measured in a liquid medium, modified Bridgman anvil cell for pressures in excess of 75 kbar. These data allow for the determination of…
We report measurements on MgB2 up to ~40GPa. Increasing pressure yields a monotonous decrease of the lattice parameters and of the c/a ratio, but no structural transition down to parameters smaller than those of AlB2. The transition…
The thermodynamic stabilities of various phases of the nitrides of the platinum metal elements are systematically studied using density functional theory. It is shown that for the nitrides of Rh, Pd, Ir and Pt two new crystal structures, in…
The structural properties under hydrostatic pressure up to 3 GPa of the layered rare earth carbide halide superconductor Y2C2I2 are studied by neutron powder diffraction at room temperature. The compressibilities are anisotropic, such that…
The discovery of high-temperature superconductors remains a central challenge in materials science. Hydrogen-rich compounds are among the most promising candidates, as they can exhibit phonon-mediated superconductivity at elevated critical…
It is commonly anticipated that an insulating state collapses in favor of an emergent metallic state at high pressures as the unit cell shrinks and the electronic bandwidth broadens to fill the insulating energy band gap. Here we report a…
Ambient pressure studies on high purity single crystals of the stoichiometric 4f-electron metal CeNi2Ge2 reveal anomalous low temperature forms of the resistivity which challenge our understanding of the metallic state. Comparisons are made…
Recent cutting-edge experiments have provided {\it in situ} structure characterization and measurements of the pressure ($P$), density ($\bar{\rho}$) and temperature ($T$) of shock compressed silicon in the 100 GPa range of pressures and…
Crystal and electronic structure, lattice dynamics and thermodynamic stability of little known mixed valent diamagnetic AgIAgIIIF4 beta form of AgF2 is thoroughly examined for the first time and compared with well known antiferromagnetic…
Hydrogen and hydrides materials have long been considered promising materials for high-temperature superconductivity. But the extreme pressures required for the metallization of hydrogen-based superconductors limit their applications. Here,…
The observed "simple cubic" (sc) phase of elemental Ca at room temperature in the 32-109 GPa range is, from linear response calculations, dynamically unstable. By comparing first principle calculations of the enthalpy for five sc-related…
The physical properties and structural evolution of the 122-type solid solution BaNi2(Ge1-xPx)2 are reported. The in-plane X-X (X = Ge1-xPx) dimer formation present in the end member BaNi2Ge2, which results in a structural transition to…
Although most insulators are expected to undergo insulator to metal transition on lattice compression, tetrahedral semiconductors Si, GaAs and InSb can become metallic on compression as well as by expansion. We focus on the transition by…
Low-buckled silicene, germanene, and stanene are group$-IV$ graphene allotropes. They form a honeycomb lattice out of two interpenetrating ($A$ and $B$) triangular sublattices that are vertically separated by a small distance $\Delta_z$.…
With $T_c \sim 9.6~\mathrm{K}$, Be$_{22}$Re exhibits one of the highest critical temperatures among Be-rich compounds. We have carried out a series of high-pressure electrical resistivity measurements on this compound to 30 GPa. The data…
Evolutionary algorithms (EA) coupled with Density Functional Theory (DFT) calculations have been used to predict the most stable hydrides of phosphorous (PHn, n = 1-6) at 100, 150 and 200 GPa. At these pressures phosphine is unstable with…
Evolutionary structure searches are used to predict a new class of compounds in the lithium--rich region of the lithium/hydrogen phase diagram under pressure. First principles computations show that LimH, 4<m<9, are stabilized with respect…