Related papers: High-pressure studies of MSb3 (M = Fe, Co) at quas…
CoSb3, a skutterudite compound, is key in studying thermoelectric materials. Under compression, it undergoes a 'self-insertion' isostructural transition, redistributing large Sb atoms among crystallographic sites. We investigated CoSb3's…
High-pressure X-ray diffraction studies on nanocrystals of the pseudo-vaterite-type borates GdBO$_3$ and YBO$_3$ are herein reported up to 17.4(2) and 13.4(2) GPa respectively. The subsequent determination of the room-temperature…
The structural behaviour of CsCdF3 under pressure is investigated by means of theory and experiment. High-pressure powder x-ray diffraction experiments were performed up to a maximum pressure of 60 GPa using synchrotron radiation. The cubic…
High pressure X-ray diffraction measurements have been carried out on the intermetallic semiconductor FeGa$_3$ and the equation of state for FeGa$_3$ has been determined. First principles based DFT calculations within the GGA approximation…
We have performed density functional calculations of the electronic structure and lattice dynamics of the binary skutterudite FeSb$_{3}$. We find that the ground state of FeSb$_{3}$ is a near semi-metallic ferromagnet with $T_{c}=175$~K.…
The high-pressure structural behaviour of the fluoroperovskite KMgF_3 is investigated by theory and experiment. Density functional calculations were performed within the local density approximation and the generalized gradient approximation…
Nanostructured orthorhombic FeSb2 and an amorphous phase were formed by mechanical alloying starting from a mixture of high purity elemental Fe and Sb powders. The effects of high pressures on structural and optical properties were studied…
The crystal structure of CH3NH3PbBr3 perovskite has been investigated under high-pressure by synchrotron-based powder X-ray diffraction. We found that after the previously reported phase transitions in CH3NH3PbBr3 (Pm-3m->Im-3->Pmn21),…
We have studied the electronic structure of the skutterudite compounds Co(Sb$_{1-x}$Te$_{x}$)$_3$ (x= 0, 0.02, 0.04) by photoemission spectroscopy. Valence-band spectra revealed that Sb 5p states are dominant near the Fermi level and are…
Antiferromagnetic intermetallic compound EuRhGe3 crystalizes in a non-centrosymmetric BaNiSn3-type (I4mm) structure. We studied its pressure-dependent crystal structure by using synchrotron powder x-ray diffraction at room temperature. Our…
We have studied by means of high-pressure x-ray diffraction the structural stability of Ni2Mo3N, Co3Mo3N, and Fe3Mo3N. We also report ab initio computing modeling of the high-pressure properties of these compounds, Pd2Mo3N, and Pt2Mo3N. We…
Pressure is a unique tuning parameter for probing the properties of materials and has been particularly useful for studies of electronic materials such as high-temperature cuprate superconductors. Here we report the effects of…
The orthorhombic phase of Si-doped Fe carbide is synthesized at high pressures and temperatures using laser-heated diamond anvil cell (LHDAC), followed by its characterization using X-ray diffraction (XRD) measurements, Transmission…
The structural, electronic, optical and vibrational properties of LiN$_3$ under high pressure have been studied using plane wave pseudopotentials within the generalized gradient approximation for the exchange and correlation functional. The…
We show here for the first time the use of a cold sintering process (CSP) to sinter CoSb3-based thermoelectric materials. CSP at 150 {\deg}C for 90 min under a uniaxial pressure of 750 MPa yields pieces with a relative density of 86 %,…
High-pressure synchrotron based angle dispersive x-ray diffraction (ADXRD) studies were carried out on SmGdO3 (SGO) up to 25.7GPa at room temperature. ADXRD results indicated a reversible pressure-induced phase transition from ambient…
The 300 K equation of state of cubic (zinc-blende) boron phosphide BP has been studied by in situ single-crystal X-ray diffraction with synchrotron radiation up to 55 GPa. The measurements have been performed under quasi-hydrostatic…
Constant-pressure constant-temperature {\it ab initio} molecular dynamics simulations at high temperatures have been used to study MgSiO$_3$ liquid, the major constituent of the Earth's lower mantle to conditions of the Earth's core-mantle…
Nanostructure CoSb3 samples were synthesized via hydrothermal technique along with different routes to study the phaseevolution in Co-Sb system. X-ray diffraction (XRD) explored to study the phase evolution in Co-Sb system via. Special…
Quasi-hydrostatic compression of rhombohedral boron monosulfide (r-BS) has been studied up to 50 GPa at room temperature using diamond-anvil cells and angle-dispersive synchrotron X-ray diffraction. A fit of the experimental P-V data to the…