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In this work, we presented investigations on the microstructural, magnetic, dielectric and conductive properties of (1-x)Na0.5Bi0.5TiO3-xCoFe2O4 (NBT-CFO) composite ceramics (x = 0.1, 0.2, 0.3 and 0.5). The composites were synthesized using the in-situ sol-gel method, and the resulting CFO/NBT embedded structure was observed in the 0.9NBT–0.1CFO sample. Rietveld refinement confirmed that the embedded structure had remarkable effects on the c/a ratios of NBT-CFO composites. Increasing normalization saturation magnetizations were observed with increasing of CFO contents, thus revealing the influence of phase interfaces on magnetism. Dielectric relaxation anomalies were observed on both temperature dependent permittivity and loss spectra. Two sets of anomalies in these spectra were caused by space charges on the phase interfaces of embedded CFO grains and the NBT matrix. The conduction behavior of ceramics with and without the embedded structure obeyed the double power law and Jonscher's fraction power law, respectively, which inferred a transformation from the AC to the DC conduction mechanism with the disappearance of the embedded structure.

Layered transition-metal trichalcogenides have become one of the research frontiers as two-dimensional magnets and candidate materials used for phase-change memory devices. Herein we report the high-pressure synchrotron X-ray diffraction and resistivity measurements on Cr2Ge2Te6 (CGT) single crystal by using diamond anvil cell techniques, which reveal a mixture of crystalline-to-crystalline and crystalline-to-amorphous transitions taking place concurrently at 18.3-29.2 GPa. The polymorphic transition could be interpreted by atomic layer reconstruction and the amorphization could be understood in connection with randomly flipping atoms into van der Waals gaps. The amorphous (AM) phase is quenchable to ambient conditions. The electrical resistance of CGT shows a bouncing point at ~ 18 GPa, consistent with the polymorphism phase transition. Interestingly, the high-pressure AM phase exhibits metallic resistance with the magnitude comparable to that of high-pressure crystalline phases, whereas the resistance of the AM phase at ambient pressure fails to exceed that of the crystalline phase, indicating that the AM phase of CGT appeared under high pressure is quite unique and similar behavior has never been observed in other phase-change materials. The results definitely would have significant implications for the design of new functional materials., 14 pages,7 figures, 2 tables, 1 supporting information. JPCC in press

Water evaporation and steam production have been recognized to be considerably crucial due to the vast applications, ranging from waste water treatment, water purification, to alternative green energy solutions by water splitting, catalysis, and in-door heating. Albeit the big variety of photothermal conversion materials (PCMs) developed for this purpose, certain drawbacks, e.g. high cost, complicated synthesis, weak/narrow absorbance, bulkiness, and low evaporation rate, have hindered the application potential. Herein, we report the dual-phase molybdenum nitride nanorambutans, synthesized by a facile method, for solar steam generation. Not only the inherent properties, including strong full-spectrum absorbance, high-efficiency photothermal conversion, and super-hydrophilicity, benefit their water evaporation performance, the interconnected open mesopores of the nanorambutans further boost their capability of light harvesting and water/vapor transportation. Solar energy conversion efficiency of ∼97% under one sun together with excellent cycling stability has been demonstrated. In the desalination systems, integrating with the high salt rejection rate, the nanorambutans film can produce a water evaporation rate as high as ∼1.70 kg m −2 h −1 with an efficiency of ∼98%. Besides its compact size, the record-breaking water evaporation performance of these nanorambutans has exceeded the previous best inorganic PCM. This work introduces molybdenum nitride as a new PCM for efficient solar steam generation and all applications that can benefit from highly localized heating from nano to macro scale.

Orthorhombic (space group: Pnma) Nb2P5 is a high-pressure phase that is quenchable to ambient pressure, which could viewed as the zigzag infinite P chain-inserted NbP2. We report herein the high-pressure crystal growth of Nb2P5 and the discovery of its superconducting transition at Tc ~ 2.6 K. The electrical resistivity, magnetization, and specific heat capacity measurements on the high-quality crystal unveiled a conventional type-II weakly coupled s-wave nature of the superconductivity, with the upper critical field Hc2(0) ~ 0.5 T, the electron-phonon coupling strength {\lambda}ep ~ 0.5 - 0.8, and the Ginzburg-Landau parameter \k{appa} ~ 100. The ab initio calculations on the electronic band structure unveiled nodal-line structures protected by different symmetries. The one caused by band inversion, for example, on the {\Gamma}-X and U-R paths of the Brillouin zone, likely could bring nontrivial topology and hence possible nontrivial surface state on the surface. The surface states on the (100), (010) and (110) surfaces were also calculated and discussed. The discovery of the phosphorus-rich Nb2P5 superconductor would be instructive for the design of more metal phosphides superconductors which might host unconventional superconductivity or potential technical applications., Comment: 8 pages,8 figures in the main text + 4 pages, 3 figures, 1 table in the supplementary information

Morphotropic phase boundaries (MPB) consisting of rhombohedral and orthorhombic phases formed within the range of 0.1 ≤ x ≤ 0.15 in Bi1-xErxFe0.97Ti0.03O3 ceramics. Orthorhombic phase transition was verified by the appearance of a new mode at 310 cm−1 in Raman spectra. Bridging phases as intermedia phases of MPB were rare in Bi1-xErxFe0.97Ti0.03O3. Polarization and permittivity improved at MPB. Moreover, impedance spectroscopy revealed additional arcs with a distinct small polaron conduction mechanism. Er3+ ions enhanced magnetic properties and induced a permittivity change at Neel temperature. The magnetodielectric effect resulted in a permittivity change rate of ~1% at 10000 Oe.

We present extensive investigations of the crystallographic phase diagram and electronic properties of the Fe-based superconductor FeSe under extreme conditions (high pressure (HP) and low temperature (LT)) by synchrotron X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). An isostructural phase transition (Tetragonal (T) →high-pressure Tetragonal (Tʹ)) is discovered in FeSe at ∼2.8 GPa based on the axial ratio c/a with finer pressure step as observed in Fe-As-based superconductor such as EuFe2As2. We also find a pressure-induced Tʹ → MnP-type phase transition at 7.6 GPa in FeSe, which is consistent with the documented pressure-induced high-spin → low-spin transition (∼6–7 GPa). These results reveal the pressure-induced structural phase transition sequence in FeSe at room temperature to be T → Tʹ → Tʹ+MnP-type at pressures of 0–10.6 GPa, enriching the crystallographic phase diagram. The HPLT XRD data also indicate that a sluggish structural phase transition (Cmma → Pnma) begins at 7.5 GPa, and these two phases coexist up to 26.5 GPa. The HP X-ray absorption near-edge spectroscopy (XANES) measurement shows that Eo of Se experiences a pressure-induced shift to high energy, evidencing strongly charge transfer between Fe and Se under high pressure. Our results shed lights on the correlation between crystallographic/electronic structure and superconductivity in this material.

Topological semimetal, a novel state of quantum matter hosting exotic emergent quantum phenomena dictated by the nontrivial band topology, has emerged as a new frontier in condensed-matter physics. Very recently, the coexistence of triply degenerate points of band crossing and Weyl points near the Fermi level was theoretically predicted and experimentally identified in MoP. Via high-pressure electrical transport measurements, we report here the emergence of pressure-induced superconductivity in MoP with a critical transition temperature Tc of ca. 2.5 K at ca. 30 GPa. No structural phase transition is observed up to ca. 60 GPa via synchrotron X-ray diffraction study. Accordingly, the topologically nontrivial band protected by the crystal structure symmetries and superconductivity are expected to coexist at pressures above 30 GPa, consistent with density functional theory calculations. Thus, the pressurized MoP represents a promising candidate of topological superconductor. Our finding is expected to stimulate further exploitation of exotic emergent quantum phenomena in novel unconventional fermion system. Molybdenum phosphide becomes superconducting above 30 GPa, with a critical transition temperature of 2.5 K. A team led by Youguo Shi, Xiaoping Yang and Zhaorong Yang from the Chinese Academy of Sciences perform high-pressure electrical transport measurements in molybdenum phosphide, which is a recently proved topological material hosting exotic fermions. They apply pressure over 90 GPa and observe a superconducting transition above 30 GPa with a critical transition temperature of 2.5 K, which increases to 4 K at 95 GPa. Meanwhile, the compound crystalizes into a (tungsten carbide) WC-type structure where the topological properties are predicted from ambient pressure up to 60 GPa. They expect that topological fermions and superconductivity could coexist under a pressure between 30 GPa and 60 GPa, suggesting a possible candidate for topological superconductivity.

Manganese (Mn)-based antiperovskite structures (Mn3AX, where A and X represent the 3d transition-metal elements and N or C atoms, respectively) have attracted growing attention because of their novel electronic and magnetic properties. However, the lack of an effective approach to regulate the magnetic coupling in Mn3AX crystal structure, particularly in antiferromagnetic ground states, hinders their further design and applications. Herein, robust high-temperature ferrimagnetic order with a Curie temperature (TC) in the range of ∼390–420 K was successfully achieved in Mn3GaxNx (x = 0.5, 0.6, and 0.7) via composition-deficient engineering. A systematic investigation, including synchrotron X-ray diffraction, neutron powder diffraction, pair distribution function, X-ray absorption near-edge structure, magnetic characterization, and first-principles calculations, convincingly indicated that the redistribution of partial atoms in the antiferromagnetic ground state was responsible for the observed long-range magnetic order. These results not only provide a new perspective into the design and construction of high-temperature ferrimagnets based on the Mn3AX structure, but also open up a promising avenue for the further design of Mn3AX-based spintronic or other multifunctional devices.

In this study, a series of Bi2Te2-xS1+x compounds were prepared by traditional melting-quenching-annealing process. In the range of 0.03 ≤ x ≤ 0.25, Bi2Te2-xS1+x compounds possess the Bi2Te3 structure. S atoms preferentially fully occupy the Te(2) sites, while any extra S atoms randomly occupy the Te(1) sites. Experimental results and phonon dispersion calculations demonstrate that the strong coupling of the phonon density of state contributed by Bi and Te(1) atoms results in the low avoided-crossing frequencies, sound velocities, Debye temperature and therefore the low lattice thermal conductivities. Moreover, substitutions of extra S atoms on the Te(1) site intensifies alloy phonon scattering that further suppresses the lattice thermal conductivity. An ultra-low lattice thermal conductivity of 0.49 W m−1 K−1 is achieved at 523 K. Doping with Cl increases the room temperature carrier concentration, resulting in a significantly enhanced power factor from 1.5 mW m−1 K−2 for the Bi2Te1.93S1.07 sample to 1.7 mW m−1 K−2 for the Cl-doped sample at 323 K. Furthermore, doping with Cl enhances phonon point defect scattering that leads to a suppression of the thermal conductivity to 0.41 W m−1 K−1 at 573 K. As a result of the optimization of the electronic transport properties and the reduction in the lattice thermal conductivity, Bi2Te1.93S1.065Cl0.005 sample achieved the highest ZT of 0.67 at 623 K which is superior to intrinsic Bi2Te3 in the whole temperature range.

In this paper, a novel composite La0.9Ca0.1Fe0.9Nb0.1O3-δ/Sc0.2Zr0.8O2−δ (LCFNb/ScSZ) is developed and investigated as a fuel electrode candidate for direct electrolyzing carbon dioxide (CO2) in solid oxide electrolysis cells (SOECs). XRD patterns of LCFNb powder sintered in CO2 at 850 °C for 10 h indicate that no secondary phases are found during the heat treatment and linear thermal expansion results prove that the LCFNb is compatible with ScSZ electrolyte used in this work. The electrolyser with porous LCFNb membrane cathode fabricated by infiltration method shows impressive electrochemical performance. The current density of 1.97 A/cm2 at 2.0 V at 800 °C is obtained. The polarization resistance Rp of the SOEC decreases with the increase of the applied voltage between the electrodes. The obtained lowest Rp is as low as 0.113 Ω cm2 at 2.0 V and this value is much lower than its many other perovskite and nickle-based counterparts. Besides, the LCFNb/ScSZ cathode shows excellent stability in pure CO2 at different applied voltage, especially at 2.0 V. Furthermore, the LCFNb/ScSZ electrode exhibits the current efficiencies close to theoretical ones for CO2 electrolysis, indicating that the LCFNb/ScSZ composite ceramic is an excellent cathode for zirconia-based high temperature electrolyser.

(Gadolinium) Gd-doped antiperovskite compounds Mn 3 Cu 1−x Gd x N were synthesized by the conventional solid-state reaction. With increasing Gd concentration, two magnetic transitions appeared at a high Curie temperature (T C1 ) corresponding to paramagnetic (PM)-ferromagnetic (FM) transition and a low temperature (T C2 ) ascribed to the FM-antiferromagnetic (AFM) transition. The magnetic relaxation results show the formation of a magnetic metastable state after the FM-AFM transition at low temperature (lower than T C2 ), forming a novel magnetic-step feature in the process from AFM to FM under a certain magnetic field.

We report the discovery of superconductivity in high-quality single crystals of transition-metal pnictides WP grown by chemical vapor transport method. Bulk superconductivity is observed at ${T}_{\text{c}}\ensuremath{\sim}0.8\phantom{\rule{0.28em}{0ex}}\mathrm{K}$ at ambient pressure by electrical resistivity, ac magnetic susceptibility, and specific-heat measurements. The effects of magnetic field on the superconducting transitions are studied, leading to a large anisotropy parameter around 2 with the in-plane and out-of-plane upper critical fields of ${\ensuremath{\mu}}_{0}{H}_{\text{c}2,\ensuremath{\parallel}}=17.2\phantom{\rule{0.28em}{0ex}}\mathrm{mT}$ and ${\ensuremath{\mu}}_{0}{H}_{\text{c}2,\ensuremath{\perp}}=8.5\phantom{\rule{0.28em}{0ex}}\mathrm{mT}$, respectively. The low value of electron-phonon coupling estimated from the normal-state resistivity and specific-heat measurements suggest that WP is a weak-coupling BCS superconductor. Our finding demonstrates that WP is the first superconductor among $5d$--transition metal pnictides with MnP-type structure at ambient pressure, which will help in the search for new superconductors in transition-metal pnictides.

Recently, A2B3-type tetradymites have developed into a hot topic in physical and material research fields, where the A and B atoms represent V and VI group elements, respectively. In this study, in situ angle-dispersive X-ray diffraction measurements were performed on Bi2Te2Se, BiSbTeSe2, and Sb2Te2Se tetradymites under high pressure. Bi2Te2Se transforms from a layered rhombohedral structure (phase I) into 7-fold monoclinic (phase II) and body-centered tetragonal (phase IV) structures at about 8.0 and 14.3 GPa, respectively, without an 8-fold monoclinic structure (phase III) similar to that in Bi2Te3. Thus, the compression behavior of Bi2Te2Se is the same as that of Bi2Se3, which could also be obtained from first-principles calculations and in situ high-pressure electrical resistance measurements. Under high pressure, BiSbTeSe2 and Sb2Te2Se undergo similar structural phase transitions to Bi2Te2Se, which indicates that the compression process of tellurides can be modulated by doping Se in Te sites. According to these high-pressure investigations of A2B3-type tetradymites, the decrease of the B-site atomic radius shrinks the stable pressure range of phase III and expands that of phase II, whereas the decrease of the A-site atomic radius induces a different effect, i.e. expanding the stable pressure range of phase III and shrinking that of phase II. The influence of the atomic radius on the compression process of tetradymites is closely related to the chemical composition and the atom arrangement in the quintuple layer.

The high-pressure effect on valence fluctuation of the ThCr2Si2-type intermetallic compound EuNi2P2 has been investigated using in situ synchrotron Mossbauer spectroscopy (SMS). The isomer shift of 151Eu in EuNi2P2 increases monotonically with increasing pressure up to 50 GPa, suggesting a valence transition of the Eu from mixed toward trivalent. The synchrotron angle-dispersive X-ray diffraction (AD-XRD) experiment shows that EuNi2P2 remains in the tetragonal structure up to 32.5 GPa at room temperature. We propose that the evolutions of bonding distance with pressure have an obvious effect on the valence fluctuation.

In this study, first-principle calculations, in situ angle-dispersive X-ray diffraction, and in situ electrical resistance measurements were performed on arsenic telluride (As2Te3) under high pressure. Structural phase transitions and metallized phenomena were observed from the calculated and experimental results. Upon compression, α-As2Te3 transforms into phases α' and α″ at ∼5.09 and ∼13.2 GPa, respectively, with two isostructural phase transitions. From 13.2 GPa, As2Te3 starts to transform into phase γ, with one first-order monoclinic to monoclinic crystal structural phase transition. According to the first-principle calculations and electrical resistance measurements, the structural phase transitions in the compression process induce the transformation from an insulator (phase α) across a semimetal (phase α') into a metal (phases α″ and γ). The evolution of the structure and transport property upon compression on As2Te3 is helpful for understanding the properties of other A2B3-type compounds under high pressure.

The extremely large magnetoresistance (XMR) in nonmagnetic semimetals has inspired growing interest owing to both intriguing physics and potential applications. We report results of synchrotron X-ray diffraction (SXRD) and electrical transport measurements on TaAs2 under pressure up to ~ 37 GPa, which revealed an anisotropic compression of the unit cell, formation of unusual As-As bonds above 9.5 GPa, and enhancement of metallicity. Interestingly, the MR of TaAs2 under pressure changed gently, which at 1.7 GPa is 96.6% and at 36.6 GPa is still 36.7%. The almost robust MR under pressure could be related to the nearly stable electronic structure unveiled by the ab initio calculations. The discovery would expand the potential use of XMR even under high pressure., Comment: 15 pages, 7 figures including those in supporting information

The layered Cr2Ge2Te6 (CrGT) has captured vast attentions because it is capable of retaining the long-range ferromagnetic order even in its monolayer form, thus offering potential applications in spintronic devices. We report herein the Raman spectra of CrGT under pressure up to 35.1 GPa at room temperature. We observed a structural phase transition at ∼14 GPa as was revealed by a change in pressure derivate frequencies of the E g 3 and A g 1 modes. Both of the two peaks became broad and the A g 1 mode eventually disappeared with further increasing the pressure. Raman modes above 26.4 GPa could not be experimentally observed, suggesting that the CrGT was pressed into the amorphous phase. Interestingly, a pressure-induced soft phonon mode is identified in CrGT at ∼23 GPa by dynamical property calculation. The phonon instability at the Brillouin zone boundary T point is suggested as the driving force for the experimentally observed crystalline-to-crystalline phase transition at ∼ 18 GPa. The appearance of soft phonon might indicate the possibility of superconductivity induced by much higher pressure.

As a follow-up of our previous work on pressure-induced metallization of the 2H_{c}-MoS_{2} [Chi et al., Phys. Rev. Lett. 113, 036802 (2014)PRLTAO0031-900710.1103/PhysRevLett.113.036802], here we extend pressure beyond the megabar range to seek after superconductivity via electrical transport measurements. We found that superconductivity emerges in the 2H_{a}-MoS_{2} with an onset critical temperature T_{c} of ca. 3 K at ca. 90 GPa. Upon further increasing the pressure, T_{c} is rapidly enhanced beyond 10 K and stabilized at ca. 12 K over a wide pressure range up to 220 GPa. Synchrotron x-ray diffraction measurements evidenced no further structural phase transition, decomposition, and amorphization up to 155 GPa, implying an intrinsic superconductivity in the 2H_{a}-MoS_{2}. DFT calculations suggest that the emergence of pressure-induced superconductivity is intimately linked to the emergence of a new flat Fermi pocket in the electronic structure. Our finding represents an alternative strategy for achieving superconductivity in 2H-MoS_{2} in addition to chemical intercalation and electrostatic gating.

The influence of external pressure on the structural properties of manganese monophosphides (MnP) at room temperature has been studied using in situ angle dispersive synchrotron x-ray powder diffraction (AD-XRD) with a diamond anvil cell. The crystal structure of MnP is stable between 0 to 15 GPa. However, the compressibility of b-axis is much larger than those of a- and c-axes. From this result we suggested that the occurrence of superconductivity in MnP was induced by suppression of the long-range antiferromagnetically ordered state rather than a structural phase transition. Furthermore, the present experimental results show that the Pnma phase of MnP undergoes a pressure-induced structural phase transition at ~15.0 GPa. This finding lighted up-to-date understanding of the common prototype B31 structure (Strukturbericht Designation: B31) in transition metal monophosphides. No additional structural phase transition was observed up to 35.1 GPa (Run 1) and 40.2 GPa (Run 2) from the present AD-XRD results. With an extensive crystal structure searching and ab initio calculations, we predict that MnP underwent two pressure-induced structural phase transitions of Pnma → P213 and P213 → Pm-3m (CsCl-type) at 55.0 and 92.0 GPa, respectively. The structural stability and the electronic structures of manganese monophosphides under high pressure are also briefly discussed.

Here, we report comprehensive studies on the high-pressure structural and electrical transport properties of the layered transition metal chalcogenide (Cr2S3) up to 36.3 GPa. A structural phase transition was observed in the rhombohedral Cr2S3 near 16.5 GPa by the synchrotron angle dispersive X-ray diffraction measurement using a diamond anvil cell. Through in situ resistance measurement, the electric resistance value was detected to decrease by an order of three over the pressure range of 7–15 GPa coincided with the structural phase transition. Measurements on the temperature dependence of resistivity indicate that it is a semiconductor-to-metal transition in nature. The results were also confirmed by the electronic energy band calculations. Above results may shed a light on optimizing the performance of Cr2S3 based applications under extreme conditions.