arXiv subjects

V. B. Prakapenka

Publications and source records attributed to V. B. Prakapenka.

13 recordsLinked to original sources

arXiv2025

Raman spectroscopy of graphite with water as the pressure medium

We report a high-pressure Raman spectroscopy study of a graphite-water mixture using water as the pressure-transmitting medium up to 9.9 GPa. In the graphite-rich region, three characteristic Raman features-the $E_{2g}^{(1)}$ shear mode, the G band ($E_{2g}^{(2)}$), and the 2D band-were observed and tracked as a function of pressure. The G band exhibits a pronounced blue shift with increasing pressure, indicating enhanced interlayer coupling between graphite planes. In the water-rich region, the librational band and three distinct O-H stretching modes were identified. Notably, above 8 GPa, the slope of the pressure dependence decreases relative to the earlier report, likely due to the influence of the water pressure medium, emphasizing the need for further investigation at higher pressures.

cond-mat.mtrl-sci↗

arXiv2024

Superconductivity Discovered in Niobium Polyhydride at High Pressures

Niobium polyhydride was synthesized at high pressure and high temperature conditions by using diamond anvil cell combined with in situ high pressure laser heating techniques. High pressure electric transport experiments demonstrate that superconducting transition occurs with critical temperature(Tc) 42 K at 187 GPa. The shift of Tc as function of external applied magnetic field is in consistent to the nature of superconductivity while the upper critical field at zero temperature Hc2(0) is estimated to~16.8 Tesla while the GL coherent length ~57 angstrom is estimated. The structure investigation using synchrotron radiation implies that the observed superconductivity may come from Fm-3m phase of NbH3.

cond-mat.supr-con↗

arXiv2024

High-pressure Phase Transition of Olivine-type Mg$_2$GeO$_4$ to a Metastable Forsterite-III type Structure and their Equation of States

Germanates are often used as structural analogs of planetary silicates. We have explored the high-pressure phase relations in Mg$_2$GeO$_4$ using diamond anvil cell experiments combined with synchrotron x-ray diffraction and computations based on density functional theory. Upon room temperature compression, forsterite-type Mg$_2$GeO$_4$ remains stable up to 30 GPa. At higher pressures, a phase transition to a forsterite-III type (Cmc21) structure was observed, which remained stable to the peak pressure of 105 GPa. Using a 3rd order Birch Murnaghan fit to the experimental data, we obtained V0 = 305.1 (3) Å3, K0 = 124.6 (14) GPa and K0' = 3.86 (fixed) for forsterite- and V0 = 263.5 (15) Å3, K0 = 175 (7) GPa and K0' = 4.2 (fixed) for the forsterite-III type phase. The forsterite-III type structure was found to be metastable when compared to the stable assemblage of perovskite/post-perovskite + MgO, as observed during laser-heating experiments. Understanding the phase relations and physical properties of metastable phases is crucial for studying the mineralogy of impact sites, understanding metastable wedges in subducting slabs and interpreting the results of shock compression experiments.

physics.geo-ph↗

arXiv2023

Superconductivity Observed in Tantalum Polyhydride at High Pressure

We report experimental discovery of tantalum polyhydride superconductor. It was synthesized at high pressure and high temperature conditions using diamond anvil cell combined with in-situ high pressure laser heating techniques. The superconductivity was investigated via resistance measurements at pressures. The highest superconducting transition temperature Tc was found to be ~30 K at 197 GPa in the sample that was synthesized at the same pressure with ~2000 K heating. The transitions are shifted to low temperature upon applying magnetic fields that supports the superconductivity nature. The upper critical field at zero temperature μ0Hc2(0) of the superconducting phase is estimated to be ~20 T that corresponds to GL coherent length ~40 angstroms. Our results suggest that the superconductivity may arise from I-43d phase of TaH3. It is, for the first time to our best knowledge, experimental realization of superconducting hydrides for the VB group of transitional metals.

cond-mat.supr-con↗

arXiv2023

Phase transitions and spin-state of iron in FeO at the conditions of Earth's deep interior

Iron-bearing oxides undergo a series of pressure-induced electronic, spin and structural transitions that can cause seismic anomalies and dynamic instabilities in Earth's mantle and outer core. We employ x-ray diffraction and x-ray emission spectroscopy along with state-of-the-art density functional plus dynamical mean-field theory (DFT+DMFT) to characterize the electronic structure and spin states, and crystal-structural properties of wüstite (Fe$_{1-x}$O) -- a basic oxide component of Earth's interior -- at high pressure-temperature conditions up to 140 GPa and 2100 K. We find that FeO exhibits complex polymorphism under pressure, with abnormal compression behavior associated with electron-spin and crystallographic phase transitions, and resulting in a substantial change of bulk modulus. Our results reveal the existence of a high-pressure phase characterized by a metallic high-spin state of iron at about the pressure-temperature conditions of Earth's core-mantle boundary. The presence of high-spin metallic iron near the base of the mantle can significantly influence the geophysical and geochemical properties of Earth's deep interior.

cond-mat.str-el↗

arXiv2022

Record High Tc Element Superconductivity Achieved In Titanium

It is challenging to search for high Tc superconductivity (SC) in transition metal elements wherein d electrons are usually not favored by conventional BCS theory. Here we report discovery of surprising SC up to 310 GPa with Tc above 20 K in wide pressure range from 108 GPa to 240 GPa in titanium. The maximum Tc^onset above 26 K and zero resistance Tc^zero of 21 K are record high values hitherto achieved among element superconductors. The Hc2(0) is estimated to be about 32 Tesla with coherence length 32 angstrom. The results show strong s-d transfer and d-band dominance, indicating correlation driven contributions to high Tc SC in dense titanium. This finding is in sharp contrast to the theoretical predications based on pristine electron-phonon coupling scenario. The study opens a fresh promising avenue for rational design and discovery of high Tc superconductors among simple materials via pressure tuned unconventional mechanism.

cond-mat.supr-con↗

arXiv2022

Superconductivity above 80 K in polyhydrides of hafnium

Studies on polyhydrides are attracting growing attentions recently due to their potential high temperature superconductivity (SC). We here report the discovery of SC in hafnium polyhydrides at high pressures. The hafnium superhydrides are synthesized at high pressure and high temperature conditions using diamond anvil cell in combination with in-situ high pressure laser heating technique. The SC was investigated by in-situ high pressure resistance measurements in applied magnetic fields. A superconducting transition with onset Tc ~83 K was observed at 243 GPa. The upper critical field Hc2(0) was estimated to be 24 Tesla by GL theory and the consequent superconducting coherent length to be ~37 angstrom. Our results suggest that the superconducting phase is from C2/m-HfH14. This is the first 5d transition metal polyhydride superconductor with Tc above the liquid nitrogen temperature.

cond-mat.supr-con↗

arXiv2022

Universal diamond edge Raman scale to 0.5 terapascal: The implication to metallization of hydrogen

The recent progress in generating static pressures up to terapascal values opens opportunities for studying novel materials with unusual properties, such as metallization of hydrogen and high-temperature superconductivity. However, an evaluation of pressure above ~0.3 terapascal is a challenge. We report a universal high-pressure scale up to ~0.5 terapascal, based on the shift of the Raman edge of stressed diamond anvils correlated with the equation of state of Au and does not require an additional pressure sensor. According to the new scale, the pressure values are substantially lower by 20% at ~0.5 terapascal compared to the extrapolation of the existing scales. We compared the available data of H2 at the highest static pressures. We showed that the onset of the proposed metallization of molecular hydrogen reported by different groups is consistent when corrected with the new scale and can be compared with various theoretical predictions.

cond-mat.mtrl-sci↗

arXiv2020

Revealing the complex nature of bonding in binary high-pressure compound FeO$_2$

Extreme pressures and temperatures are known to drastically affect the chemistry of iron oxides resulting in numerous compounds forming homologous series $n$FeO$\cdot m$Fe$_2$O$_3$ and the appearance of FeO$_2$. Here, based on the results of \emph{in situ} single-crystal X-ray diffraction, Mössbauer spectroscopy, X-ray absorption spectroscopy, and DFT+dynamical mean-field theory calculations we demonstrate that iron in high pressure cubic FeO$_2$ and isostructural FeO$_2$H$_{0.5}$ is ferric (Fe$^{3+}$), and oxygen has a formal valence less than two. Reduction of oxygen valence from 2, common for oxides, down to 1.5 can be explained by a formation of a localized hole at oxygen sites.

physics.geo-ph↗

arXiv2019

Superconductivity up to 243 K in yttrium hydrides under high pressure

The discovery of high-temperature conventional superconductivity in H3S with a critical temperature of Tc=203 K was followed by the recent record of Tc ~250 K in the face-centered cubic (fcc) lanthanum hydride LaH10 compound. It was realized in a new class of hydrogen-dominated compounds having a clathrate-like crystal structure in which hydrogen atoms form a 3D framework and surround a host atom of rare earth elements. Yttrium hydrides are predicted to have even higher Tc exceeding room temperature. In this paper, we synthesized and refined the crystal structure of new hydrides: YH4, YH6, and YH9 at pressures up to 237 GPa finding that YH4 crystalizes in the I4/mmm lattice, YH6 in Im-3m lattice and YH9 in P63/mmc lattice in excellent agreement with the calculations. The observed very high-temperature superconductivity is comparable to that found in fcc-LaH10: the pressure dependence of Tc for YH9 also displays a "dome like shape" with the highest Tc of 243 K at 201 GPa. We also observed a Tc of 227 K at 237 GPa for the YH6 phase. However, the measured Tcs are notably lower by ~30 K than predicted. Evidence for superconductivity includes the observation of zero electrical resistance, a decrease of Tc under an external magnetic field and an isotope effect. The theoretically predicted fcc YH10 with the promising highest Tc>300 K was not stabilized in our experiments under pressures up to 237 GPa.

cond-mat.supr-con↗

arXiv2018

Superconductivity at 250 K in lanthanum hydride under high pressures

The discovery of superconductivity at 203 K in H3S brought attention back to conventional superconductors whose properties can be described by the Bardeen-Cooper-Schrieffer (BCS) and the Migdal-Eliashberg theories. These theories predict that high, and even room temperature superconductivity (RTSC) is possible in metals possessing certain favorable parameters such as lattice vibrations at high frequencies. However, these general theories do not suffice to predict real superconductors. New superconducting materials can be predicted now with the aid of first principles calculations based on Density Functional Theory (DFT). In particular, the calculations suggested a new family of hydrides possessing a clathrate structure, where the host atom (Ca, Y, La) is at the center of the cage formed by hydrogen atoms. For LaH10 and YH10 superconductivity, with critical temperatures Tc ranging between 240 and 320 K is predicted at megabar pressures. Here, we report superconductivity with a record Tc ~ 250 K within the Fm-3m structure of LaH10 at a pressure P ~ 170 GPa. We proved the existence of superconductivity at 250 K through the observation of zero-resistance, isotope effect, and the decrease of Tc under an external magnetic field, which suggests an upper critical magnetic field of 120 T at zero-temperature. The pressure dependence of the transition temperatures Tc (P) has a maximum of 250-252 K at the pressure of about 170 GPa. This leap, by ~ 50 K, from the previous Tc record of 203 K indicates the real possibility of achieving RTSC (that is at 273 K) in the near future at high pressures and the perspective of conventional superconductivity at ambient pressure.

cond-mat.supr-con↗

arXiv2017

Experimental evidence of the Frenkel line in supercritical neon

Recent research suggests that the supercritical state consists of liquidlike and gaslike states where particle dynamics and key system properties are qualitatively different. We report experimental evidence of the structural crossover in supercritical neon at pressure and temperature conditions significantly exceeding the critical point values: 250$\,P_c$ and 6.6$\,T_c$. The experimental results show a crossover of the medium-range order structure evidenced by the change of the structure factor with pressure. We also observe the crossover of the short-range order structure indicated by changes in the coordination number. The relative width of the crossover is fairly narrow and is smaller than 10-12 \% in pressure and temperature. By comparing our experimental results with molecular dynamics simulations, we suggest that the observed crossover can be attributed to the Frenkel line and discuss the relationship between the structural crossover and qualitative changes of dynamical and thermodynamic properties of supercritical matter.

cond-mat.mtrl-sci↗

arXiv2014

Backbone NxH Compounds at High Pressures

Optical and synchrotron x-ray diffraction diamond anvil cell experiments have been combined with first principles theoretical structure predictions to investigate mixed N2 and H2 up to 55 GPa. We found the formation of oligomeric NxH (x>1) compounds using mechano- and photochemistry at pressures above 47 and 10 GPa, respectively, and room temperature. These compounds can be recovered to ambient pressure at T<130 K, whereas at room temperature, they can be metastable down to 3.5 GPa. Our results suggest new pathways for synthesis of environmentally benign high energy-density materials and alternative planetary ice.

cond-mat.mtrl-sci↗