Iron is the most abundant transition-metal element in the mantle and therefore plays an important role in the geochemistry and geodynamics of the Earth's interior. Pressure-induced electronic spin transitions of iron occur in magnesiowüstite, silicate perovskite and post-perovskite. Here we have studied the spin states of iron in magnesiowüstite and the isolated effects of the electronic transitions on the elasticity of magnesiowüstite with in situ X-ray emission spectroscopy and X-ray diffraction to pressures of the lowermost mantle. An observed high-spin to low-spin transition of iron in magnesiowüstite results in an abnormal compressional behaviour between the high-spin and the low-spin states. The high-pressure, low-spin state exhibits a much higher bulk modulus and bulk sound velocity than the low-pressure, high-spin state; the bulk modulus jumps by approximately 35 percent and bulk sound velocity increases by approximately 15 percent across the transition in (Mg0.83,Fe0.17)O. Although no significant density change is observed across the electronic transition, the jump in the sound velocities and the bulk modulus across the transition provides an additional explanation for the seismic wave heterogeneity in the lowermost mantle. The transition also affects current interpretations of the geophysical and geochemical models using extrapolated or calculated thermal equation-of-state data without considering the effects of the electronic transition.

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Abstract. High-pressure melting, phase transitions and structures of iron have been studied to 84 GPa and 3500 K with an improved laser heated diamond anvil cell technique and in situ high P-T x-ray diffraction. At pressures below 60 GPa, the lower bound on the melting curve is close to those measured by Boehler [1993] and Saxena et al. [1993]; however, at pressures above 60 GPa our data indicate melting at higher temperatures than these studies, but still lower than the melting curve of Williams et al [1990]. The •-¾-1 triple point is 60(+5) GPa and 2800(+200) K, based on our data of the •-¾ phase transition and the observation of melting by in situ x-ray diffraction. No solid phases other than •-Fe and ¾-Fe were observed in situ at high temperatures (>1000 K) and pressures to 84 GPa. However, the diffraction patterns of temperature quenched products at high pressure can be fit to other structures such as dhcp.

Bond length and bond angle exhibited by valence electrons is essential to the core of chemistry. Using lead‐based organic–inorganic perovskite compounds as an exploratory platform, it is demonstrated that the modulation of valence electrons by compression can lead to discovery of new properties of known compounds. Yet, despite its unprecedented progress, further efficiency boost of lead‐based organic–inorganic perovskite solar cells is hampered by their wider bandgap than the optimum value according to the Shockley–Queisser limit. By modulating the valence electron wavefunction with modest hydraulic pressure up to 2.1 GPa, the optimized bandgap for single‐junction solar cells in lead‐based perovskites, for the first time, is achieved by narrowing the bandgap of formamidinium lead triiodide (HC(NH2)2PbI3) from 1.489 to 1.337 eV. Strikingly, such bandgap narrowing is partially retained after the release of pressure to ambient, and the bandgap narrowing is also accompanied with double‐prolonged carrier lifetime. With First‐principles simulation, this work opens a new dimension in basic chemical understanding of structural photonics and electronics and paves an alternative pathway toward better photovoltaic materials‐by‐design.

The equation of state, elasticity, and shear strength of magnesium oxide were examined to 227 GPa using synchrotron x-ray diffraction in a diamond anvil cell. Static compression, ultrasonic elasticity, and shock data for MgO from ambient pressure to above 200 GPa can all be described by a single Birch-Murnaghan equation of state when the static shear strength, which is determined to be at least 11 GPa at 227 GPa, is taken into account. Our results show that there are significant changes in the degree and character of the elastic anisotropy of MgO at high pressure.

The hypersonic sound velocity and refractive index of Si02 glass has been measured to 57.5 GPa at room temperature by Brillouin scattering in diamond cells. On compression, both longitudinal and tranverse modes exhibit an anomalous change in slope in the low-pressure region. Between 12 and 23 GPa, the sound velocities increase rapidly. At higher pressures, the bulk velocity follows a trend similar to that expected for coesite. At 57.5 GPa, the longitudinal velocity of Si02 glass is 11. 85 (+0.51) km/s and the transverse velocity is 6. 12 (+0.06) km/s. The refractive index increases monotonically with pressure and reaches a value of 1.924 (+0.081) at 57.5 GPa. It decreases reversibly on decompression to 26 GPa, but displays an irreversible change when decompressed from 16 GPa to ambient pressure. The pressure-density relation calculated from the measured sound velocities within the elastic compression region is in good agreement with several previous determinations.

Materials in metastable states, such as amorphous ice and supercooled condensed matter, often exhibit exotic phenomena. To date, achieving metastability is usually accomplished by rapid quenching through a thermodynamic path function, namely, heating-cooling cycles. However, heat can be detrimental to organic-containing materials because it can induce degradation. Alternatively, the application of pressure can be used to achieve metastable states that are inaccessible via heating-cooling cycles. Here we report metastable states of 2D organic-inorganic hybrid perovskites reached through structural amorphization under compression followed by recrystallization via decompression. Remarkably, such pressure-derived metastable states in 2D hybrid perovskites exhibit enduring bandgap narrowing by as much as 8.2% with stability under ambient conditions. The achieved metastable states in 2D hybrid perovskites via compression-decompression cycles offer an alternative pathway toward manipulating the properties of these "soft" materials.

Compressional wave velocity-density (V P − ρ) relations of candidate Fe alloys at relevant pressure-temperature conditions of the Earth's core are critically needed to evaluate the composition, seismic signatures, and geodynamics of the planet's remotest region. Specifically, comparison between seismic V P − ρ profiles of the core and candidate Fe alloys provides first-order information on the amount and type of potential light elements-including H, C, O, Si, and/or S-needed to compensate the density deficit of the core. To address this issue, here we have surveyed and analyzed the literature results in conjunction with newly measured V P − ρ results of hexagonal closest-packed (hcp) Fe and hcp-Fe 0.85 Si 0.15 alloy using in situ highenergy resolution inelastic X-ray scattering and X-ray diffraction. The nature of the Fe-Si alloy where Si is readily soluble in Fe represents an ideal solid-solution case to better understand the lightelement alloying effects. Our results show that high temperature significantly decreases the V P of hcp-Fe at high pressures, and the Fe-Si alloy exhibits similar high-pressure V P − ρ behavior to hcp-Fe via a constant density offset. These V P − ρ data at a given temperature can be better described by an empirical power-law function with a concave behavior at higher densities than with a linear approximation. Our new datasets, together with literature results, allow us to build new V P − ρ models of Fe alloys in order to determine the chemical composition of the core. Our models show that the V P − ρ profile of Fe with 8 wt % Si at 6,000 K matches well with the Preliminary Reference Earth Model of the inner core.compressional-wave velocity | high pressure-temperature E nigmatic properties of the Earth's inner core have recently been discovered including differential super-rotation (1), seismic anisotropies (2-4), and fine-scale seismic heterogeneities (5, 6). Deciphering these observations requires solid knowledge about the composition of the Earth's inner core and, therefore, the elasticity of candidate Fe alloys (7-16). Since F. Birch pointed out in the 1950s that Earth's core is too dense if composed of Fe or Fe-Ni alloy alone (13), a number of candidate major light elements, including oxygen (O), silicon (Si), sulfur (S), carbon (C), and hydrogen (H), have been suggested via cosmochemical, geochemical, and geophysical evidence (17). To ascertain the identity and exact amount of light elements needed in the Earth's inner core, one key piece of information lies in the comparison of the seismic V P − ρ profiles with reliable laboratory measurements of these properties for candidate Fe alloys. Potential Fe-light element alloy must have V P − ρ profiles that match seismic models such as the Preliminary Reference Earth Model and AK135 (7,8). Thus, this requires precise experimental results describing the V P − ρ relationships of Fe alloys at pressure-temperature (P-T) conditions relevant to the Earth's core. To address this issue, here, we present new experimental measurements on the V...