Related papers: Pressure induced ferroelastic phase transition in …
The effect of hydrostatic pressure on the electronic structures of iron pnictide superconducting compounds LiFeAs and NaFeAs through density functional theory based first principles studies are presented, using the predicted crystal…
Interlayer stacking order has recently emerged as a unique degree of freedom to control crystal symmetry and physical properties in two-dimensional van der Waals (vdW) materials and heterostructures. By tuning the layer stacking pattern,…
In this paper, we report the results of an ambient and high pressure study of a 5f-electron ferromagnet URhGa. The work is focused on measurements of magnetic and thermodynamic properties of a single crystal sample and on the construction…
We present the results of pressure-dependent far-infrared reflectivity measurements on the multiferroic perovskite BiFeO3 at room temperature. The observed behavior of the infrared-active phonon modes as a funtion of pressure clearly…
We show that polycrystalline GeSb2Te4 in the fcc phase (f-GST), which is an insulator at low temperature at ambient pressure, becomes a superconductor at elevated pressures. Our study of the superconductor to insulator transition versus…
The ab-plane resistivity of Ba(Fe1-xRux)2As2 (x = 0.00, 0.09, 0.16, 0.21, and 0.28) was studied under nearly hydrostatic pressures, up to 7.4 GPa, in order to explore the T-P phase diagram and to compare the combined effects of…
The structural and electronic properties of Rutherfordium, the newest group IV B element, have been evaluated by first principles density functional theory in scalar relativistic formalism with and without spin-orbit coupling and compared…
High-pressure electrical resistivity measurements up to 3.0GPa have been performed on EuFe2As2 single crystals with residual resistivity ratios RRR=7 and 15. At ambient pressure, a magnetic / structural transition related to FeAs-layers is…
Motivated by the heavy fermion Fermi liquid (HFFL) features observed at low-$T$ in the pyrochlore $LiV_{2}O_{4}$, we consider a material-specific model that includes aspects of the local quantum chemistry, the geometrically frustrated…
We report a detailed experimental and theoretical study on the effect of hydrostatic pressure on the structural and magnetic aspects of the layered honeycomb antiferromagent $\alpha$-RuCl$_{3}$. Magnetic susceptibility measurements…
The changes in magnetic properties of Ce(Fe0.9Co0.1)2 compound with increasing disorder are discussed in the paper. Homogeneous alloys are known to undergo the phase transition from ferromagnetic to antiferromagnetic state accompanied by…
Intrinsic magnetic topological insulators provide an ideal platform to achieve various exciting physical phenomena. However, this kind of materials and related research are still very rare. In this work, we reported the electronic and…
First-principles calculations have been carried out to study the InVO4 compound under pressure. In this work, total energy calculations were performed in order to analyze the structural behavior of the experimentally known polymorphs of…
We report the evolution of the electronic structure at the surface of the layered perovskite Sr$_2$RuO$_4$ under large in-plane uniaxial compression, leading to anisotropic $B_{1g}$ strains of…
Pressure-dependent diffraction response of the superconducting phase separated Cs0.72Fe1.57Se2 has been studied using synchrotron radiation up to the pressure of 19 GPa. The main and secondary phases of Cs0.72Fe1.57Se2 have been observed in…
In this work we explore the overall structural behaviour of the [(CH3)2NH2][Mn(HCOO)3] multiferroic compound across the temperature range where its ferroelectric transition takes place by means of calorimetry, thermal expansion measurements…
Sr$_2$RuO$_4$ is an unconventional superconductor with a tetragonal structure, whereas Ca$_2$RuO$_4$ is a Mott insulator with orthorhombic symmetry. The substituted Ca$_{2-x}$Sr$_x$RuO$_4$ has yielded a rich phase diagram that is just…
We present LDA+U calculations of high temperature elastic properties of bridgmanite with composition (Mg$_{(1-x)}$Fe$_{x}^{2+}$)SiO$_3$ for $0\le{x}\le0.125$. Results of elastic moduli and acoustic velocities for the Mg-end member (x=0)…
We investigate the pressure-temperature ($p$-$T$) phase diagram of elemental lithium (Li) up to multiterapascal (TPa) pressures using ab-initio random structure search (AIRSS) and density functional theory (DFT). At zero temperature, beyond…
We investigate the high-pressure behaviour of beryllium, magnesium and calcium difluorides using ab initio random structure searching and density functional theory (DFT) calculations, over the pressure range 0-70 GPa. Beryllium fluoride…