Structure and composition of C-S-H compounds up to 143 GPa
Elena Bykova, Maxim Bykov, Stella Chariton, Vitali B. Prakapenka, Konstantin Glazyrin, Andrey Aslandukov, Alena Aslandukova, Giacomo Criniti, Alexander Kurnosov… 展开作者
Elena Bykova, Maxim Bykov, Stella Chariton, Vitali B. Prakapenka, Konstantin Glazyrin, Andrey Aslandukov, Alena Aslandukova, Giacomo Criniti, Alexander Kurnosov, Alexander F. Goncharov
We synthesized two C-S-H compounds from a mixture of carbon and sulfur in hydrogen and from sulfur in mixed methane-hydrogen fluids at 4 GPa. X-ray synchrotron single-crystal diffraction and Raman spectroscopy have been applied to these samples up to 58 and 143 GPa, respectively. Both samples show a similar Al2Cu type I4/mcm basic symmetry, while the hydrogen subsystem evolves with pressure via variously ordered molecular and extended modifications. The methane bearing sample lowers symmetry to an orthorhombic Pnma structure after laser heating to 1400 K at 143 GPa. The results suggest that superconducting C-S-H compounds are structurally different from a common Im-3m H3S.
The stability of different stoichiometric H$_n$Br ($n$=1-7) compounds under pressure are extensively studied using density functional theory calculations. Five new energetically stable stoichiometries of H$_2$Br, H$_3$Br, H$_4$Br, H$_5$Br, and H$_7$Br were uncovered at high pressure. The results show that HBr is stable below 64 GPa, then decomposes into new compound H$_2$Br and Br$_2$ molecular crystal. For H$_2$Br and H$_3$Br compounds, they were found to become stable above 30 GPa and 8 GPa, respectively. In addition, we accidentally discovered the triangular H$_3^+$ species in H$_5$Br compo…
The recent discovery of room temperature superconductivity (283 K) in carbonaceous sulfur hydride (C-S-H) has attracted lots of interests in ternary hydrogen rich materials. In this report, ternary hydride P-S-H has been synthesized through photochemical reaction from elemental sulfur (S), phosphorus (P) and molecular hydrogen (H2) at high pressures and room temperature. The Raman spectroscopy under pressure shows that H2S and PH3 compounds are synthesized after laser heating at 0.9 GPa and a ternary van der Waals compound P-S-H is synthesized with a further compression to 4.6 GPa. The P-S-H c…
Pressure-induced reentrant superconductivity in a misfit layered compound $\mathrm{(SnS)_{1.15}(TaS_2)}$
Qufu Normal University（曲阜师范大学）；Center for High Pressure Science and Technology Advanced Research（高压科学和技术先进研究中心）；Xinyang Normal University（信阳师范大学）；Jining University（济宁学院）；Indian Institute of Technology Roorkee（印度理工学院鲁尔基分校）；Academia Sinica（中央研究院）；Zhejiang University of Technology（浙江工业大学）
The vibrational and structural properties of a hydrogen-rich Group IVa hydride, Ge(CH$_3$)$_4$, are studied by combining Raman spectroscopy and synchrotron X-ray diffraction measurements at room temperature and at pressures up to 30.2 GPa. Both techniques allow the obtaining of complementary information on the high-pressure behaviors and yield consistent phase transitions at 1.4 GPa for the liquid to solid and 3.0, 5.4, and 20.3 GPa for the solid to solid. The four high-pressure solid phases are identified to have the cubic, orthorhombic, monoclinic and monoclinic crystal structures with space…
We report high pressure powder synchrotron x-ray diffraction studies on MFe2As2 (M=Ba, Ca) over a range of temperatures and pressures up to about 56 GPa using a membrane diamond anvil cell. A phase transition to a collapsed tetragonal phase is observed in both compounds upon compression. However, at 300 (33) K in the Ba-compound the transition occurs at 26 (29) GPa, which is a much higher pressure than 1.7 (0.3) GPa at 300 (40) K in the Ca-compound, due to its larger volume. It is important to note that the transition in both compounds occurs when they are compressed to almost the same value o…
Recently, A2B3 type strong spin orbital coupling compounds such as Bi2Te3, Bi2Se3 and Sb2Te3 were theoretically predicated to be topological insulators and demonstrated through experimental efforts. The counterpart compound Sb2Se3 on the other hand was found to be topological trivial, but further theoretical studies indicated that the pressure might induce Sb2Se3 into a topological nontrivial state. Here, we report on the discovery of superconductivity in Sb2Se3 single crystal induced via pressure. Our experiments indicated that Sb2Se3 became superconductive at high pressures above 10 GPa proc…
In the paper, the thermodynamic properties of the superconducting state in the $\rm{B_{2}H_{6}}$ compound have been characterized. The pressure of 360 GPa has been taken into account. The calculations have been carried out in the framework of the Eliashberg formalism for the wide range of the Coulomb pseudopotential: $μ^{\star}\in<0.1,0.3>$. It has been found that the critical temperature ($T_{C}$) varies in the range from 147 K to 87 K, depending on the assumed value of the Coulomb pseudopotential. The ratio of the energy gap to the critical temperature ($R_Δ\equiv 2Δ(0)/k_{B}T_{C}$) signific…
Polycrystalline HfPd2Al has been synthesized using the arc-melting method and studied under ambient pressure conditions by x-ray diffraction from room temperature up to 450^oC. High pressure x-ray diffraction up to 23 GPa was also performed using Diacell-type membrane diamond anvil cells. The estimated linear thermal expansion coefficient was found to be α = 1.40(3)x10^{-5} K^{-1}, and the bulk modulus derived from the fit to the 3rd order Birch-Murnaghan EOS (BMEOS) is B0 = 97(2) GPa. Resistivity studies under applied pressure (p < 7.49 GPa) showed a linear decrease of superconducting critica…
Superconducting ternary compounds Li-X-B (X=Mo, W) within the mild pressure range: First-principles predictions
State Key Laboratory of Quantum Functional Materials, School of Physical Science and Technology, ShanghaiTech University（上海科技大学物理科学与技术学院量子功能材料国家重点实验室）；School of Physics, Hangzhou Normal University（杭州师范大学物理学院）；ShanghaiTech Laboratory for Topological Physics, ShanghaiTech University（上海科技大学拓扑物理实验室）；National Laboratory of Solid State Microstructures, School of Physics and Collaborative Innovation Center of Advanced Microstructures, Nanjing University（南京大学物理学院固体微结构物理国家重点实验室先进微结构协同创新中心）；Collaborative Innovation Center of Advanced Microstructures, Nanjing University（南京大学先进微结构协同创新中心）；Shanghai Key Laboratory of High-resolution Electron Microscopy, ShanghaiTech University（上海科技大学高分辨电子显微镜上海市重点实验室）
Discovery of high-temperature superconductivity in hydrogen-rich compounds has fuelled the enthusiasm for finding materials with more promising superconducting properties among hydrides. However, the ultrahigh pressure needed to synthesize and maintain high-temperature hydrogen-rich superconductors hinders the experimental investigation of these materials. For practical applications, it is also highly desired to find more hydrogen-rich materials that superconduct at high temperatures but under relatively lower pressures. Based on first-principles density functional theory, we calculate the ele…
We performed high-pressure transport studies on the flat-band Kagome compounds, Pd$_3$P$_2$(S$_{1-x}$Se$_x$)$_8$ ($x$ = 0, 0.25), with a diamond anvil cell. For both compounds, the resistivity exhibits an insulating behavior with pressure up to 17 GPa. With pressure above 20 GPa, a metallic behavior is observed at high temperatures in Pd$_3$P$_2$S$_8$, and superconductivity emerges at low temperatures. The onset temperature of superconducting transition $T_{\rm C}$ rises monotonically from 2 K to 4.8 K and does not saturate with pressure up to 43 GPa. For the Se-doped compound Pd$_3$P$_2$(S$_{…
Motivated by recent discovery of yttrium-based high-temperature ternary superconducting hydrides (e.g., CaYH$_{12}$, LaYH$_{12}$, and ScYH$_{6}$), we have employed evolutionary algorithm and first-principles calculations to comprehensively examine the structural stability and superconductivity of the YMgH$_{x}$ system at high pressure. The hydrogen content $x$ and the pressure are both important factors in the stability of these candidate structures. We find that the stability of hydrogen-rich materials frequently necessitates higher pressure. For instance, the pressures to stabilize $P4/mmm$-…
We report the synthesis of a new quasi one-dimensional (1D) iron selenide. Ba9Fe3Se15 was synthesized at high temperature and high pressure of 5.5 GPa and systematically studied via structural, magnetic and transport measurements at ambient and at high-pressures. Ba9Fe3Se15 crystallizes in a monoclinic structure and consists of face-sharing FeSe6 octahedral chains along the c axis. At ambient pressure it exhibits an insulating behavior with a band gap ~460 meV and undergoes a ferrimagnet-like phase transition at 14 K. Under high pressure, a complete metallization occurs at ~29 GPa, which is ac…
We performed resistivity measurements in CuRh$_{2}$S$_{4}$ under quasi-hydrostatic pressure of up to 8.0 GPa, and found a pressure induced superconductor-insulator (SI) transition. Initially, with increasing pressure, the superconducting transition temperature $T_c$ increases from 4.7 K at ambient pressure to 6.4 K at 4.0 GPa, but decreases at higher pressures. With further compression, superconductivity in CuRh$_{2}$S$_{4}$ disappears abruptly at a critical pressure $P_{\rm SI}$ between 5.0 and 5.6 GPa, when it becomes an insulator.
We report hydrostatic pressure study on the Rashba-type noncentrosymmetric superconduc- tors CaMSi3 (M= Ir, Pt). The temperature dependence of the resistivity for both compounds is well described by the conventional Bloch-Grüneisen formalism at each pressure. This fact suggests that electron-phonon scattering is dominant in these compounds. The superconducting critical temperature Tc decreases by pressure as \sim 0.2 K/GPa above 0.41 GPa to 2 GPa for both compounds. This behavior of Tc can be explained with a modest decrease of the density of states based on the conventional BCS theory.
The lattice parameters of the tetragonal compounds Ce$M$In$_{5}$ and Ce$_{2}M$In$_{8}$($M=$Rh, Ir and Co) have been studied as a function of pressure up to 15 GPa using a diamond anvil cell under both hydrostatic and quasihydrostatic conditions at room temperature. The addition of $M$In$_{2}$ layers to the parent CeIn$_{3}$ compound is found to stiffen the lattice as the 2-layer systems (average of bulk modulus values $B_{0}$ is 70.4 GPa) have a larger $B_{0}$ than CeIn$_{3}$ (67 GPa), while the 1-layer systems with the are even stiffer (average of $B_{0}$ is 81.4 GPa). Estimating the hybridiz…
Here, we have grown single crystals of LaTe2-xSbx (x=0 and 0.4) with continuously adjustable CDW. High-pressure x-ray diffraction show LaTe2 does not undergo phase transition and keep robust below 40 GPa. In-situ high-pressure electrical measurements show LaTe2-xSbx undergo semiconductor-metal-superconductivity transition at 4.6 and 2.5 GPa, respectively. With the doping of Sb, the highest Tc increases from 4.6 to 6.5 K. Theoretical calculations reveal that the CDW has been completely suppressed and the calculated Tc is about 2.97 K at 4.5 GPa, consistent with the measured value. Then, the pre…
We report $^{123}$Sb nuclear quadrupole resonance (NQR) measurements of the filled skutterudite heavy-fermion superconductor PrOs$_4$Sb$_{12}$ under high pressure. The temperature dependence of NQR frequency and the spin-lattice relaxation rate $1/T_1$ indicate that the crystal-electric-field splitting $Δ_{\rm CEF}$ between the ground state $Γ_1$ singlet and the first excited state $Γ_4^{(2)}$ triplet decreases with increasing pressure. Ac-susceptibility measurements indicate that the superconducting transition temperature ($T_{\rm c}$) also decreases with increasing pressure. However, above $…
Various transition metal trichalcogenides (TMTC) show the charge-density-wave and superconductivity, which provide an ideal platform to study the correlation between these two orderings and the mechanism of superconductivity. Currently, almost all metallic TMTC compounds can show superconductivity either at ambient pressure or at high pressure. However, most TMTC compounds are semiconductors and even insulators. Does the superconductivity exist in any non-metal TMTC compound? In this work, we managed to manipulate the electronic behavior of highly insulating HfS3 in term of pressure. HfS3 unde…
Recently, the superconducting transition temperature Tc = 287 K has been experimentally obtained in the material composed of carbon, sulfur, and hydrogen under the high pressure of 267 GPa. The material structure is unknown yet, where the carbon and sulfur were added at a molar ratio of 1:1. Here, fixing the molar ratio of C : S = 1:1, we studied several possible C-S-H structures, and found a new stable structure C2S2H4 using the first-principles calculations. The C2S2H4 shows an insulator-to-metal transition and the superconducting ground state at the pressure of 64 GPa, and its Tc can reach …
We report systematic investigation of high pressure crystal structures and structural phase transition upto 46 GPa in CaFeAsF and 40 GPa in SrFeAsF at 40 K using powder synchrotron x-ray diffraction experiments and Rietveld analysis of the diffraction data. We find that CaFeAsF undergoes orthorhombic to monoclinic phase transition at Pc = 13.7 GPa while increasing pressure. SrFeAsF exhibits coexistence of orthorhombic and monoclinic phases over a large pressure range from 9 to 39 GPa. The coexistence of the two phases indicates that the transition is of first order in nature. Unlike in the 122…
Compressed hydrogen-rich compounds have received extensive attention as appealing contenders for superconductors, and further challenges are maintaining the stability and superconductivity of hydrides at lower pressures. In this work, we found several novel hydrides YZrH6, YZrH8 and YZrH12 with excellent superconductivity in the Y-Zr-H ternary system. Interestingly, YZrH6 with an A15-type structure can maintain dynamic stability down to 0.01 GPa and still with a critical temperature (Tc) of 16 K. YZrH8 and YZrH12 have high Tc of 70 K and 183 K at 200 GPa and 160 GPa, respectively. The phonon m…
To understand the most-recent experiment on room-temperature superconductivity in carbonaceous sulfur hydride (CSH) systems under high pressure, we have performed extensive stoichiometry and structure searches of ternary CSH compounds using generic evolutionary algorithms. Judged from the formation enthalpy of different CSH compounds, our studies conclude that certain levels of carbon doping (~5%-6%) in sulfur hydride (H$_3$S) in its R3m and phases gives rise to the most-stable structure (second to the H$_3$S itself) among the various CSH systems found. The replacement of a small amount of sul…
Motivated by recent experimental work, we use first-principles density functional theory methods to conduct an extensive search for low enthalpy structures of C$_6$Ca under pressure. As well as a range of buckled structures, which are energetically competitive over an intermediate range of pressures, we show that the high pressure system ($\gtrsim 18$ GPa) is unstable towards the formation of a novel class of layered structures, with the most stable compound involving carbon sheets containing five- and eight-membered rings. As well as discussing the energetics of the different classes of low e…
We present materials informatics approach to search for superconducting hydrogen compounds, which is based on a genetic algorithm and a genetic programming. This method consists of four stages: (i) search for stable crystal structures of materials by a genetic algorithm, (ii) collection of physical and chemical property data by first-principles calculations, (iii) development of superconductivity predictor based on the database by a genetic programming, and (iv) discovery of potential candidates by regression analysis. By repeatedly performing the process as (i) $\rightarrow$ (ii) $\rightarrow…
Transition metal dichalcogenides host a wide variety of lattice and electronic structures, as well as corresponding exotic physical properties, especially under certain tuning conditions. Here, we are the first to report the observation of pressure-induced three superconducting transitions in TaTe2, a charge density wave (CDW) - bearing layered transition-metal dichalcogenide that is metallic but not superconducting at ambient pressure. We find that its CDW state can be easily suppressed upon increasing pressure up to ~ 1 GPa. A superconducting state then emerges from the suppressed CDW state …
The recent discovery of superconductivity in heavy Fermion compound UTe2, a candidate topological and triplet-paired superconductor, has aroused widespread interest. However, to date, there is no consensus on whether the stoichiometric sample of UTe2 is superconducting or not due to lack of reliable evidence to distinguish the difference between the nominal and real compositions of samples. Here, we are the first to clarify that the stoichiometric UT2 is non-superconducting at ambient pressure and under hydrostatic pressure up to 6 GPa, however we find that it can be compressed into supercondu…
Simultaneous high pressure x-ray diffraction and electrical resistance measurements have been carried out on a PbO type α-FeSe0.92 compound to a pressure of 44 GPa and temperatures down to 4 K using designer diamond anvils at synchrotron source. At ambient temperature, a structural phase transition from a tetragonal (P4/nmm) phase to an orthorhombic (Pbnm) phase is observed at 11 GPa and the Pbnm phase persists up to 74 GPa. The superconducting transition temperature (TC) increases rapidly with pressure reaching a maximum of ~28 K at ~ 6 GPa and decreases at higher pressures, disappearing comp…
The recently discovered (Rb,Cs)EuFe4As4 compounds exhibit an unusual combination of superconductivity (Tc = 35 K) and ferromagnetism (Tm = 15 K). We have performed a series of x-ray diffraction, ac magnetic susceptibility, dc magnetization, and electrical resistivity measurements on both RbEuFe4As4 and CsEuFe4As4 to pressures as high as 30 GPa. We find that the superconductivity onset is suppressed monotonically by pressure while the magnetic transition is enhanced at initial rates of dTm/dP = 1.7 K/GPa and 1.5 K/GPa for RbEuFe4As4 and CsEuFe4As4, respectively. Near 7 GPa, Tc onset and Tm beco…
The synthesis of materials in high-pressure experiments has recently attracted increasing attention, especially since the discovery of record breaking superconducting temperatures in the sulfur-hydrogen and other hydrogen-rich systems. Commonly, the initial precursor in a high pressure experiment contains constituent elements that are known to form compounds at ambient conditions, however the discovery of high-pressure phases in systems immiscible under ambient conditions poses an additional materials design challenge. We performed an extensive multi component $ab\,initio$ structural search in…
Discovery of new high TC superconductors, with TC > 23 K, continues to be challenging. We have doubled the existing TC of single crystal Sr3Ca11Cu24O41, a spin ladder cuprate, from 12K to 24K, using a gentle uniaxial pressure ~ 0.06 GPa. In contrast, earlier works used a nearly 100 times larger hydrostatic pressure 5 GPa, only to reach a maximum TC ~ 12K. Our work exposes large and nearly equal, but opposing contributions to changes in TC, arising from compressions along and perpendicular to ladder planes, in hydrostatic pressure experiments. In our resistivity measurements, uniaxial pressure …
Motivated by the recent report of superconductivity above 200 K in ultra-dense hydrogen sulfide, we search for high-\tc\ conventional superconductivity in the phase diagram of the binary Li-S system, using {\em ab-initio} methods for crystal structure prediction and linear response calculations for the electron-phonon coupling. We find that at pressures higher than 20 GPa, several new compositions, besides the known Li$_2$S, are stabilized; many exhibit electride-like {\em interstitial} charge localization observed in other alkali metal compounds. Of all predicted phases, only Li$_3$S at P > 6…
We report on a pressure($P$)-induced evolution of superconductivity and spin correlations in CeIrIn$_5$ via the $^{115}$In nuclear-spin-lattice-relaxation rate measurements. We find that applying pressure suppresses dramatically the antiferromagnetic fluctuations that are strong at ambient pressure. At $P$ = 2.1 GPa, $T_{\rm c}$ increases to $T_{\rm c}$ = 0.8 K that is twice $T_{\rm c}$($P$ = 0 GPa), in the background of Fermi liquid state. This is in sharp contrast with the previous case in which negative, chemical pressure (replacing Ir with Rh) enhances magnetic interaction and increases $T…
Layered \textit{Ln}OBiS$_2$ compounds with \textit{Ln} = La, Ce, Pr, Nd, and Yb can be rendered conducting and superconducting via two routes, substitution of F for O or the tetravalent ions Ti, Zr, Hf, and Th for trivalent \textit{Ln} ions. Electrical resistivity measurements on non-fluorinated La$_{0.80}$Ti$_{0.20}$OBiS$_2$ and La$_{0.85}$Th$_{0.15}$OBiS$_2$ superconductors were performed between $\sim$1.5 K and 300 K and under pressure up to 2.4 GPa. For both compounds, the superconducting transition temperature $T_c$, which is $\sim$2.9 K at ambient pressure, gradually increases with press…
The M-1222 compounds are synthesized in near single phase form. These compounds crystallise in I4/mmm Tetragonal structure. None of the studied compound is superconducting but they asre weakly magnetic. This is first report on synthesis of Cr and Mn -1222 compounds. These compounds are synthesized at ultra conditions of HPHT that is the 6 Gpa and 1400 C.
Metal phosphorous trichalcogenides, MPX3, is a group of van der Waals materials with rich electronic properties and even exotic magnetic behavior. These properties can be well manipulated by pressure/strain via effective control of interlayer interaction, lattice parameters and crystal structure. Superconducting transition has been observed in compressed FePSe3. However, it is the only one superconductor reported in the large MPX3 family. Is it possible to achieve superconducting transition in other MPX3 compounds, especially in a trisulfide compound? In this work, we tentatively compressed th…
We report the discovery of superconductivity in pressurized CeRhGe3, until now the only remaining non-superconducting member of the isostructural family of non-centrosymmetric heavy-fermion compounds CeTX3 (T = Co, Rh, Ir and X = Si, Ge). Superconductivity appears in CeRhGe3 at a pressure of 19.6 GPa and the transition temperature Tc reaches a maximum value of 1.3 K at 21.5 GPa. This finding provides an opportunity to establish systematic correlations between superconductivity and materials properties within this family. Though ambient-pressure unit-cell volumes and critical pressures for supe…
Here we report the observation of pressure-induced superconductivity in type-II Weyl semimetal (WSM) candidate NbIrTe4 and the evolution of its Hall coefficient (RH), magnetoresistance (MR), and lattice with increasing pressure to ~57 GPa. These results provide a significant opportunity to investigate the universal high-pressure behavior of ternary WSMs, including the sister compound TaIrTe4 that has been known through our previous studies. We find that the pressure-tuned evolution from the WSM to the superconducting (SC) state in these two compounds exhibit the same trend, i.e., a pressure-in…
Following the idea that hydrogen-rich compounds might be high-T$_c$ superconductors at high pressures, and the very recent breakthrough in predicting and synthesizing hydrogen sulfide with record-high T$_c$ = 203 K, ab initio evolutionary algorithm for crystal structure prediction was employed to find stable germanium hydrides. In addition to the earlier structure of germane with space group Ama2, we propose a new C2/m structure, which is energetically more favorable at pressures above 278 GPa (with inclusion of zero point energy). Our calculations indicate metallicity of the new C2/m phase of…
We have carried out high pressure experiment on the pressure-induced superconductor CeIrSi$_3$ without inversion center. The electrical resistivity and ac heat capacity were measured in the same run for the same sample. The critical pressure of the antiferromagnetic state was determined to be $P_{\rm c}$ = 2.25 GPa. The heat capacity $C_{\rm ac}$ shows both antiferromagnetic and superconducting transitions at pressures close to $P_{\rm c}$. The superconducting transition temperature $T_{\rm sc}$ shows a maximum value of 1.6 K around $2.5-2.7$ GPa. At 2.58 GPa, a large heat capacity anomaly was…
We performed magnetization and electrical resistivity measurements under high pressures of up to 19 GPa for FeTe0.92. The compound shows an anomaly in magnetization and resistivity at atmospheric pressure due to a structural distortion accompanied by a magnetic transition. We also observed magnetic and resistive anomalies under high pressure, suggesting that two pressure-induced phases exist at a low temperature. Unlike in FeAs-based compounds, no superconductivity was detected under high pressures of up to 19 GPa, although the anomaly at atmospheric pressure was suppressed by applying pressur…
With the motivation of searching for new superconductors in the Mg-B system, we performed ab initio evolutionary searches for all the stable compounds in this binary system in the pressure range of 0-200 GPa. We found previously unknown, yet thermodynamically stable, compositions MgB$_3$ and Mg$_3$B$_{10}$. Experimentally known MgB$_2$ is stable in the entire pressure range 0-200 GPa, while MgB$_7$ and MgB$_{12}$ are stable at pressures below 90 GPa and 35 GPa, respectively. We predict a reentrant behavior for MgB$_4$, which becomes unstable against decomposition into MgB$_2$ and MgB$_7$ at 4 …
UCoGe is one of the few compounds showing the coexistence of ferromagnetism and superconductivity at ambient pressure. With T_Curie = 3 K and T_SC = 0.6 K it is near a quantum phase transition; the pressure needed to suppress the magnetism is slightly higher than 1 GPa. We report simultaneous resistivity and ac-susceptibility measurements under pressure on a polycrystal with very large single-crystalline domains and a resistivity ratio of about 6. Both methods confirm the phase diagram established before by resistivity measurements on a polycrystal. The ferromagnetic phase is suppressed for P …
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 …
A systematic ab initio search for low enthalpy phases of disilane (Si_2H_6) at high pressures was performed based on the minima hopping method. We found a novel metallic phase of disilane with Cmcm symmetry, which is enthalpically more favorable than the recently proposed structures of disilane up to 280 GPa, but revealing compositional instability below 190 GPa. The Cmcm phase has a moderate electron-phonon coupling yielding a superconducting transition temperature T_c of around 20 K at 100 GPa, decreasing to 13 K at 220 GPa. These values are an order of magnitude smaller than previously pred…
A technique for measuring the electrical resistivity and absolute thermopower is presented for pressures up to 30 GPa, temperatures down to 25 mK and magnetic fields up to 10 T. With the examples of CeCu2Ge2 and CeCu2Si2 we focus on the interplay of normal phase and superconducting properties. With increasing pres- sure, the behaviour of CeCu2Ge2 evolves from that of an antiferromagnetically ordered Kondo system to that characteristic of an intermediate valence compound as the Kondo temperature increases by about two orders of magnitude. In the pressure window 8-10 < P < 20 GPa, a superconduct…
Light-element compounds hold great promise of high critical temperature superconductivity judging from the theoretical perspective. Hydrogen-rich material, benzene, is such a kind of candidate but also an organic compound. A series of first-principles calculations are performed on the electronic structures, dynamics properties, and electron-phonon interactions of solid benzene at high pressures. Benzene is found to be dynamically stable in the pressure range of 180 - 200 GPa and to exhibit superconductivity with a maximum transition temperature of 20 K at 195 GPa. The phonon modes of carbon at…
We investigate the superconductivity of carbon compounds with a sodalite structure, which are similar to hydrogen compounds showing the high-temperature superconductivity. A systematic analysis by first-principles calculations is carried out, including examination of mechanical and dynamic instabilities under external pressure $P$. These instabilities are classified on the phase diagram for the effective doping charge versus the lattice constant of the system. We also present the superconducting transition temperature $T_{\rm c}$ as a function of $P$ for many carbon compounds and a pure carbon…
We report $^{123}$Sb nuclear quadrupole resonance (NQR) measurements of the filled skutterudite heavy-fermion superconductor PrOs$_4$Sb$_{12}$ under high pressures of 1.91 and 2.34 GPa. The temperature dependence of NQR frequency and the spin-lattice relaxation rate $1/T_1$ indicate that the crystal-electric-field splitting $Δ_{\rm CEF}$ between the ground state $Γ_1$ singlet and the first excited state $Γ_4^{(2)}$ triplet decreases with increasing pressure. The 1/$T_1$ below $T_c$ = 1.55 K at $P$ = 1.91 GPa shows a power-law temperature variation and is proportional to $T^5$ at temperatures c…
