arXiv subjects

R. S. Kumar

Publications and source records attributed to R. S. Kumar.

15 recordsLinked to original sources

arXiv2024

Superconductivity in pressurized Re$_{0.10}$Mo$_{0.90}$B$_2$

The recent surprising discovery of superconductivity with critical temperature $T_c$ = 32 K in MoB$_2$ above 70 GPa has led to the search for related materials that may superconduct at similarly high $T_c$ values and lower pressures. We have studied the superconducting and structural properties of Re$_{0.10}$Mo$_{0.90}$B$_2$ to 170 GPa. A structural phase transition from R3m to P6/mmm commences at 48 GPa, with the first signatures of superconductivity appearing above 44 GPa. The critical temperature is observed to increase with pressure. A complete resistive transition is observed only above 150 GPa, where the highest onset $T_c$ of 30 K is also achieved. Upon releasing pressure, the high pressure superconducting phase is found to be metastable. During unloading, a complete resistive superconducting transition is observed all the way down to 20 GPa (with onset $T_c \sim 20$ K). Our results suggest that the P6/mmm structure is responsible for the observed superconductivity.

cond-mat.supr-con↗

arXiv2024

Effect of low-temperature compression on superconductivity and crystal structure in strontium metal

The superconducting and structural properties of elemental strontium metal were investigated under pressures up to 60 GPa while maintaining cryogenic conditions during pressure application. Applying pressure at low temperatures reveals differences in superconducting and structural phases compared to previous reports obtained at room temperatures. Notably, the superconducting critical temperature exhibits a twofold increase under compression after cryogenic cooling within the pressure range of 35-42 GPa, compared to cryogenic cooling after room-temperature compression. Subsequently, the transition width becomes significantly sharper above 42 GPa. Low-temperature X-ray diffraction measurements under pressure reveal that this change corresponds to the Sr-III to Sr-IV transition, with no evidence of any metastable structure. Furthermore, the monoclinic Sr-IV structure was observed to remain stable to much higher pressures - at least up to 60 GPa, without the appearance of the incommensurate Sr-V phase present at room temperature. This implies that thermal activation energy plays an important role in overcoming the presence of a kinetic barrier to the Sr-V phase at room temperature.

cond-mat.supr-con↗

arXiv2023

Nb-substitution suppresses the superconducting critical temperature of pressurized MoB$_2$

A recent work has demonstrated that MoB$_2$, transforming to the same structure as MgB$_2$ ($P6/mmm$), superconducts at temperatures above 30 K near 100 GPa [C. Pei $et$ $al$. Natl. Sci. Rev., nwad034 (2023)], and Nb-substitution in MoB$_2$ stabilizes the $P6/mmm$ structure down to ambient pressure [A. C. Hire $et$ $al$. Phys. Rev. B 106, 174515 (2022)]. The current work explores the high pressure superconducting behavior of Nb-substituted MoB$_2$ (Nb$_{0.25}$Mo$_{0.75}$B$_2$). High pressure x-ray diffraction measurements show that the sample remains in the ambient pressure $P6/mmm$ structure to at least 160 GPa. Electrical resistivity measurements demonstrate that from an ambient pressure $T_c$ of 8 K (confirmed by specific heat to be a bulk effect), the critical temperature is suppressed to 4 K at 50 GPa, before gradually rising to 5.5 K at 170 GPa. The critical temperature at high pressure is thus significantly lower than that found in MoB$_2$ under pressure (30 K), revealing that Nb-substitution results in a strong suppression of the superconducting critical temperature. Our calculations indeed find a reduced electron-phonon coupling in Nb$_{0.25}$Mo$_{0.75}$B$_2$, but do not account fully for the observed suppression, which may also arise from inhomogeneity and enhanced spin fluctuations.

cond-mat.supr-con↗

arXiv2022

Creating superconductivity in WB2 through pressure-induced metastable planar defects

High-pressure electrical resistivity measurements reveal that the mechanical deformation of ultra-hard WB2 during compression induces superconductivity above 50 GPa with a maximum superconducting critical temperature, Tc of 17 K at 90 GPa. Upon further compression up to 190 GPa, the Tc gradually decreases. Theoretical calculations show that electron-phonon mediated superconductivity originates from the formation of metastable stacking faults and twin boundaries that exhibit a local structure resembling MgB2} (hP3, space group 191, prototype AlB2). Synchrotron x-ray diffraction measurements up to 145 GPa} show that the ambient pressure hP12 structure (space group 194, prototype WB2) continues to persist to this pressure, consistent with the formation of the planar defects above 50 GPa. The abrupt appearance of superconductivity under pressure does not coincide with a structural transition but instead with the formation and percolation of mechanically-induced stacking faults and twin boundaries. The results identify an alternate route for designing superconducting materials.

cond-mat.supr-con↗

arXiv2021

High pressure study of low-Z superconductor Be$_{22}$Re

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 show that the critical temperature $T_c$ is suppressed gradually at a rate of $dT_c/dP = -0.05~\mathrm{K/GPa}$. Using density functional theory (DFT) calculations of the electronic and phonon density of states (DOS) and the measured critical temperature, we estimate that the rapid increase in lattice stiffening in Be$_{22}$Re overwhelms a moderate increase in the electron-ion interaction with pressure, resulting in the decrease in $T_c$. High pressure x-ray diffraction measurements show that the ambient pressure crystal structure of Be$_{22}$Re persists to at least 154 GPa. We discuss the relationship between low-Z Be-rich superconductors and the high-$T_c$ superhydrides.

cond-mat.supr-con↗

arXiv2017

Monazite-type SrCrO4 under compression

We report a high-pressure study of monoclinic monazite-type SrCrO4 up to 26 GPa. Therein we combined x-ray diffraction, Raman and optical-absorption measurements with ab initio calculations, to find a pressure-induced structural phase transition of SrCrO4 near 8-9 GPa. Evidence of a second phase transition was observed at 10-13 GPa. The crystal structures of the high-pressure phases were assigned to the tetragonal scheelite-type and monoclinic AgMnO4-type structures. Both transitions produce drastic changes in the electronic band gap and phonon spectrum of SrCrO4. We determined the pressure evolution of the band gap for the low-pressure and high-pressure phases as well as the frequencies and pressure dependences of the Raman-active modes. In all three phases most Raman modes harden under compression; however the presence of low-frequency modes which gradually soften is also detected. In monazite-type SrCrO4, the band gap blue-shifts under compression, but the transition to the scheelite phase causes an abrupt decrease of the band gap in SrCrO4. Calculations showed good agreement with experiments and were used to better understand the experimental results. From x-ray diffraction studies and calculations we determined the pressure dependence of the unit-cell parameters of the different phases and their ambient-temperature equations of state. The results are compared with the high-pressure behavior of other monazites, in particular PbCrO4. A comparison of the high-pressure behavior of the electronic properties of SrCrO4 (SrWO4) and PbCrO4 (PbWO4) will also be made. Finally, the possible occurrence of a third structural phase transition is discussed.

cond-mat.mtrl-sci↗

arXiv2012

New high-pressure phase and equation of state of Ce2Zr2O8

In this paper we report a new high-pressure rhombohedral phase of Ce2Zr2O8 observed from high-pressure angle-dispersive x-ray diffraction and Raman spectroscopy studies up to nearly 12 GPa. The ambient-pressure cubic phase of Ce2Zr2O8 transforms to a rhombohedral structure beyond 5 GPa with a feeble distortion in the lattice. Pressure evolution of unit-cell volume showed a change in compressibility above 5 GPa. The unit-cell parameters of the high-pressure rhombohedral phase at 12.1 GPa are ah = 14.6791(3) Å, ch = 17.9421(5) Å, V = 3348.1(1) Å3. The structure relation between the parent cubic (P2_13) and rhombohedral (P3_2) phases were obtained by group-subgroup relations. All the Raman modes of the cubic phase showed linear evolution with pressure with the hardest one at 197 cm-1. Some Raman modes of the high-pressure phase have a non-linear evolution with pressure and softening of one low-frequency mode with pressure is found. The compressibility, equation of state, and pressure coefficients of Raman modes of Ce2Zr2O8 are also reported.

cond-mat.mtrl-sci↗

arXiv2011

High-pressure study of substrate material ScAlMgO4

We report on the structural properties of ScAlMgO4 studied under quasi-hydrostatic pressure using synchrotron high-pressure x-ray diffraction up to 40 GPa. We also report on single-crystal studies of ScAlMgO4 performed at 300 K and 100 K. We found that the low-pressure phase remains stable up to 24 GPa. At 28 GPa, we detected a reversible phase transformation. The high-pressure phase is assigned to a monoclinic distortion of the low-pressure phase. No additional phase transition is observed up to 40 GPa. In addition, the equation of state, compressibility tensor, and thermal expansion coefficients of ScAlMgO4 are determined. The bulk modulus of ScAlMgO4 is found to be 143(8) GPa, with a strong compressibility anisotropy. For the trigonal low-pressure phase, the compressibility along the c-axis is twice than perpendicular one. A perfect lattice match with ZnO is retained under pressure in the pressure range of stability of wurtzite ZnO.

cond-mat.mtrl-sci↗

arXiv2011

Zircon to monazite phase transition in CeVO4

X-ray diffraction and Raman-scattering measurements on cerium vanadate have been performed up to 12 and 16 GPa, respectively. Experiments reveal that at 5.3 GPa the onset of a pressure-induced irreversible phase transition from the zircon to the monazite structure. Beyond this pressure, diffraction peaks and Raman-active modes of the monazite phase are measured. The zircon to monazite transition in CeVO4 is distinctive among the other rare-earth orthovanadates. We also observed softening of external translational Eg and internal B2g bending modes. We attributed it to mechanical instabilities of zircon phase against the pressure-induced distortion. We additionally report lattice-dynamical and total-energy calculations which are in agreement with the experimental results. Finally, the effect of non-hydrostatic stresses on the structural sequence is studied and the equations of state of different phases are reported.

cond-mat.mtrl-sci↗

arXiv2010

Pressure-Induced Structure Transitions in Eu Metal to 92 GPa

Synchrotron x-ray diffraction experiments have been carried out on Eu metal at ambient temperature to pressures as high as 92 GPa (0.92 Mbar). Following the well-known bcc-to-hcp transition at 12 GPa, a mixed phase region is observed from 18 to 66 GPa until finally a single orthorhombic (Pnma) phase persists from 66 to 92 GPa. These results are compared to predictions from density functional theory calculations. Under pressure the relatively large molar volume Vmol of divalent Eu is rapidly diminished, equaling or falling below Vmol(P) for neighboring trivalent lanthanides above 15 GPa. The present results suggest that above 15 GPa Eu is neither divalent nor fully trivalent to pressures as high as 92 GPa.

cond-mat.mtrl-sci↗

arXiv2008

High-pressure x-ray diffraction study on the structure and phase transitions of the defect-stannite ZnGa2Se4 and defect-chalcopyrite CdGa2S4

X-ray diffraction measurements on the sphalerite-derivatives ZnGa2Se4 and CdGa2S4 have been performed upon compression up to 23 GPa in a diamond-anvil cell. ZnGa2Se4 exhibits a defect tetragonal stannite-type structure (I-42m) up to 15.5 GPa and in the range from 15.5 GPa to 18.5 GPa the low-pressure phase coexists with a high-pressure phase, which remains stable up to 23 GPa. In CdGa2S4, we find the defect tetragonal chalcopyrite-type structure (I-4) is stable up to 17 GPa. Beyond this pressure a pressure-induced phase transition takes place. In both materials, the high-pressure phase has been characterized as a defect-cubic NaCl-type structure (Fm-3m). The occurrence of the pressure induced phase transitions is apparently related with an increase of the cation disorder on the semiconductors investigated. In addition, the results allow the evaluation of the axial compressibility and the determination of the equation of state for each compound. The obtained results are compared with those previously reported for isomorphic digallium sellenides. Finally, a systematic study of the pressure-induced phase transition in twenty-three different sphalerite-related ABX2 and AB2X4 compounds indicates that the transition pressure increases as the ratio of the cationic radii and anionic radii of the compounds increases.

cond-mat.mtrl-sci↗

arXiv2007

High-pressure structural, elastic and electronic properties of the scintillator host material, KMgF_3

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 for exchange and correlation effects, as implemented within the full-potential linear muffin-tin orbital method. In situ high-pressure powder x-ray diffraction experiments were performed up to a maximum pressure of 40 GPa using synchrotron radiation. We find that the cubic Pm\bar{3}m crystal symmetry persists throughout the pressure range studied. The calculated ground state properties -- the equilibrium lattice constant, bulk modulus and elastic constants -- are in good agreement with experimental results. By analyzing the ratio between the bulk and shear modulii, we conclude that KMgF_3 is brittle in nature. Under ambient conditions, KMgF_3 is found to be an indirect gap insulator with the gap increasing under pressure.

cond-mat.mtrl-sci↗

arXiv2007

Studies on the Weak Itinerant Ferromagnet SrRuO3 under High Pressure to 34 GPa

The dependence of the Curie temperature Tc on nearly hydrostatic pressure has been determined to 17.2 GPa for the weak itinerant ferromagnetic SrRuO3 in both polycrystalline and single-crystalline form. Tc is found to decrease under pressure from 162 K to 42.7 K at 17.2 GPa in nearly linear fashion at the rate dTc/dP = -6.8 K/GPa. No superconductivity was found above 4 K in the pressure range 17 to 34 GPa. Room-temperature X-ray diffraction studies to 25.3 GPa reveal no structural phase transition but indicate that the average Ru-O-Ru bond angle passes through a minimum near 15 GPa. The bulk modulus and its pressure derivative were determined to be B =192(3) GPa and B' = 5.0(3), respectively. Parallel ac susceptibility studies on polycrystalline CaRuO3 at 6 and 8 GPa pressure found no evidence for either ferromagnetism or superconductivity above 4 K.

cond-mat.str-el↗

arXiv2006

Determination of the high-pressure crystal structure of BaWO4 and PbWO4

We report the results of both angle-dispersive x-ray diffraction and x-ray absorption near-edge structure studies in BaWO4 and PbWO4 at pressures of up to 56 GPa and 24 GPa, respectively. BaWO4 is found to undergo a pressure-driven phase transition at 7.1 GPa from the tetragonal scheelite structure (which is stable under normal conditions) to the monoclinic fergusonite structure whereas the same transition takes place in PbWO4 at 9 GPa. We observe a second transition to another monoclinic structure which we identify as that of the isostructural phases BaWO4-II and PbWO4-III (space group P21/n). We have also performed ab initio total energy calculations which support the stability of this structure at high pressures in both compounds. The theoretical calculations further find that upon increase of pressure the scheelite phases become locally unstable and transform displacively into the fergusonite structure. The fergusonite structure is however metastable and can only occur if the transition to the P21/n phases were kinetically inhibited. Our experiments in BaWO4 indicate that it becomes amorphous beyond 47 GPa.

cond-mat.mtrl-sci↗

arXiv2005

High-pressure structural study of the scheelite tungstates CaWO4 and SrWO4

Angle-dispersive x-ray diffraction (ADXRD) and x-ray absorption near edge structure (XANES) measurements have been performed in the AWO4 tungstates CaWO4 and SrWO4 under high pressure up to approximately 20 GPa. Similar phase transitions and phase transition pressures have been observed for both tungstates using the two techniques in the studied pressure range. Both materials are found to undergo a pressure-induced scheelite-to-fergusonite phase transition under sufficiently hydrostatic conditions. Our results are compared to those found previously in the literature and supported by ab initio total energy calculations. From the total energy calculations we have also predicted a second phase transition from the fergusonite structure to a new structure identified as Cmca. Finally, a linear relationship between the charge density in the AO8 polyhedra of ABO4 scheelite-related structures and the bulk modulus is discussed and used to predict the bulk modulus of other materials, like zircon.

cond-mat.mtrl-sci↗