Modulating Charge-Density Wave Order and Superconductivity from Two Alternative Stacked Monolayers in a Bulk 4Hb-TaSe2 Heterostructure via Pressure.

Two-dimensional (2D) van der Waals heterostructures (VDWHs) containing a charge-density wave (CDW) and superconductivity (SC) have revealed rich tunability in their properties, which provide a new route for optimizing their novel exotic states. The interaction between SC and CDW is critical to its properties; however, understanding this interaction within VDWHs is very limited. A comprehensive in situ study and theoretical calculation on bulk 4Hb-TaSe2 VDWHs consisting of alternately stacking 1T-TaSe2 and 1H-TaSe2 monolayers are investigated under high pressure. Surprisingly, the superconductivity competes with the intralayer and adjacent-layer CDW order in 4Hb-TaSe2, which results in substantially and continually boosted superconductivity under compression. Upon total suppression of the CDW, the superconductivity in the individual layers responds differently to the charge transfer. Our results provide an excellent method to efficiently tune the interplay between SC and CDW in VDWHs and a new avenue for designing materials with tailored properties.

Mid-mantle water transportation implied by the electrical and seismic properties of ε-FeOOH.

Water in the mantle transition zone and the core-mantle boundary plays a key role in Earth's stratification, volatile cycling, and core formation. If water transportation is actively running between the aforementioned layers, the lower mantle should contain water channels with distinctive seismic and/or electromagnetic signatures. Here, we investigated the electrical conductivity and sound velocity of ε-FeOOH up to 71 GPa and 1800 K and compared them with global tomography data. An abrupt three-order jump of electrical conductivity was observed above 50 GPa, reaching 1.24(12) × 103 S/m at 61 GPa. Meanwhile, the longitudinal sound velocity dropped by 16.8% in response to the high-to-low spin transition of Fe3+. The high-conductivity and low-sound velocity of ε-FeOOH match the features of heterogenous scatterers in the mid-lower mantle. Such unique properties of hydrous ε-FeOOH, or possibly other Fe-enriched phases can be detected as evidence of active water transportation in the mid-lower mantle.

Pressure-induced bandgap engineering and photoresponse enhancement of wurtzite CuInS2 nanocrystals.

Wurtzite CuInS2 exhibits great potential for optoelectronic applications because of its excellent optical properties and good stability. However, exploring effective strategies to simultaneously optimize its optical and photoelectrical properties remains a challenge. In this study, the bandgap of wurtzite CuInS2 nanocrystals is successfully extended and the photocurrent is enhanced synchronously using external pressure. The bandgap of wurtzite CuInS2 increases with pressure and reaches an optimal value (1.5 eV) for photovoltaic solar energy conversion at about 5.9 GPa. Surprisingly, the photocurrent simultaneously increases nearly 3-fold and reaches the maximum value at this critical pressure. Theoretical calculation indicates that the pressure-induced bandgap extention in wurtzite CuInS2 may be attributed to an increased charge density and ionic polarization between the In-S atoms. The photocurrent preserves a relatively high photoresponse even at 8.8 GPa, but almost disappears above 10.3 GPa. The structural evolution demonstrates that CuInS2 undergoes a phase transformation from the wurtzite phase (P63mc) to the rock salt phase (Fm3̄m) at about 10.3 GPa, which resulted in a direct to indirect bandgap transition and fianlly caused a dramatic reduction in photocurrent. These results not only map a new route toward further increase in the photoelectrical performance of wurtzite CuInS2, but also advance the current research of AI-BIII-CVI2 materials.

Evidence for oxygenation of Fe-Mg oxides at mid-mantle conditions and the rise of deep oxygen.

As the reaction product of subducted water and the iron core, FeO2 with more oxygen than hematite (Fe2O3) has been recently recognized as an important component in the D" layer just above the Earth's core-mantle boundary. Here, we report a new oxygen-excess phase (Mg, Fe)2O3+ δ (0 < δ < 1, denoted as 'OE-phase'). It forms at pressures greater than 40 gigapascal when (Mg, Fe)-bearing hydrous materials are heated over 1500 kelvin. The OE-phase is fully recoverable to ambient conditions for ex situ investigation using transmission electron microscopy, which indicates that the OE-phase contains ferric iron (Fe3+) as in Fe2O3 but holds excess oxygen through interactions between oxygen atoms. The new OE-phase provides strong evidence that H2O has extraordinary oxidation power at high pressure. Unlike the formation of pyrite-type FeO2Hx which usually requires saturated water, the OE-phase can be formed with under-saturated water at mid-mantle conditions, and is expected to be more ubiquitous at depths greater than 1000 km in the Earth's mantle. The emergence of oxygen-excess reservoirs out of primordial or subducted (Mg, Fe)-bearing hydrous materials may revise our view on the deep-mantle redox chemistry.

Pressure-induced isostructural phase transition in Ti3AlC2: experimental and theoretical investigation.

The structural stability of Ti3AlC2 under high pressure is important for understanding its mechanical properties. Here, we conducted a high hydrostatic pressure synchrotron X-ray diffraction experiment and no structural phase transition was observed. Like most other MAX phases, Ti3AlC2 showed an anisotropic compression behavior. Most importantly, an anomaly in c/a ratio was observed at 20.3 GPa, indicating that a pressure-induced isostructural phase transition occurred here. Analysis of the electronic band structure and Fermi surface revealed that three bands crossed the Fermi surface under compression, which suggested that this isostructural phase transition can be considered to be motivated by an electronic topological transition. The subsequent Hall-effect measurements reconfirmed this variation of the electronic band at the Fermi surface, which can be regarded as the electronic origin for the observed isostructural phase transition. These results enrich the basic property data of Ti3AlC2 and would benefit the further understanding of this promising material.

Exploring the coordination change of vanadium and structure transformation of metavanadate MgV2O6 under high pressure.

Raman spectroscopy, synchrotron angle-dispersive X-ray diffraction (ADXRD), first-principles calculations, and electrical resistivity measurements were carried out under high pressure to investigate the structural stability and electrical transport properties of metavanadate MgV2O6. The results have revealed the coordination change of vanadium ions (from 5+1 to 6) at around 4 GPa. In addition, a pressure-induced structure transformation from the C2/m phase to the C2 phase in MgV2O6 was detected above 20 GPa, and both phases coexisted up to the highest pressure. This structural phase transition was induced by the enhanced distortions of MgO6 octahedra and VO6 octahedra under high pressure. Furthermore, the electrical resistivity decreased with pressure but exhibited different slope for these two phases, indicating that the pressure-induced structural phase transitions of MgV2O6 was also accompanied by the obvious changes in its electrical transport behavior.