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Wendy L. Mao

Publications and source records attributed to Wendy L. Mao.

17 recordsLinked to original sources

High-temperature superconductivity in Nd$_{0.85}$Sr$_{0.15}$NiO$_2$ membranes under pressure

Lattice compression has emerged as a fundamental tuning parameter for nickelate superconductivity. Pressure acts as a trigger to induce superconductivity in bulk Ruddlesden-Popper nickelates. For infinite-layer nickelate thin films, compressive epitaxial strain and rare-earth ion chemical pressure have been used to substantially enhance the superconducting transition temperature ($T_c$). Efforts to go further have been constrained by the limits of epitaxial stability or the challenges of measuring thin films in high-pressure environments. Here, we overcome this limitation by developing a technique to incorporate freestanding infinite-layer $\mathrm{Nd_{0.85}Sr_{0.15}NiO_2}$ membranes into a diamond anvil cell. Using this platform, we observe a strong increase in $T_c$ up to our highest measurement pressure of $\sim$90 GPa, where a superconducting downturn can be observed near liquid nitrogen temperatures. Strikingly, we find a simple linear enhancement of $T_c$ at a rate of 0.65 K GPa$^{-1}$, with no signs of saturation. This suggests that the pairing strength in infinite-layer nickelates can be raised to a surprisingly high scale, using an approach that can be broadly applied to many two-dimensional materials.

cond-mat.supr-con↗

Spin crossover in FeO under shock compression

FeO (wüstite), which exhibits complex electronic and structural properties with increasing pressure and temperature, is a key mineralogical phase for understanding deep planetary interiors. However, direct measurements of its spin state at high-pressure and temperature remain challenging in static compression experiments. Here, we employ laser-driven shock compression to extend the FeO principal Hugoniot up to $\sim$900 GPa and perform in situ X-ray diffraction and X-ray emission spectroscopy up to 250 GPa, probing FeO's crystal structure and spin state. We demonstrate a continuous spin crossover of iron in FeO over a broad pressure range, with the high-spin state persisting beyond Earth's core-mantle boundary (CMB) conditions. These observations provide new experimental constraints on iron spin state at extreme conditions essential for geophysical models of (exo)planetary interiors.

cond-mat.mtrl-sci↗

Phase transition kinetics revealed by in situ X-ray diffraction in laser-heated dynamic diamond anvil cells

We report on a novel approach to dynamic compression of materials that bridges the gap between previous static- and dynamic- compression techniques, allowing to explore a wide range of pathways in the pressure-temperature space. By combining a dynamic-diamond anvil cell setup with double-sided laser-heating and in situ X-ray diffraction, we are able to perform dynamic compression at high temperature and characterize structural transitions with unprecedented time resolution. Using this method, we investigate the $γ-ε$ phase transition of iron under dynamic compression for the first time, reaching compression rates of hundreds of GPa/s and temperatures of 2000 K. Our results demonstrate a distinct response of the $γ-ε$ and $α-ε$ transitions to the high compression rates achieved. These findings open up new avenues to study tailored dynamic compression pathways in the pressure-temperature space and highlight the potential of this platform to capture kinetic effects in a diamond anvil cell.

cond-mat.mtrl-sci↗

Cesium-involved electron transfer and electron-electron interaction in high-pressure metallic CsPbI3

Electron-phonon coupling was believed to govern the carrier transport in halide perovskites and related phases. Here we demonstrate that electron-electron interaction plays a direct and prominent role in the low-temperature electrical transport of compressed CsPbI3 and renders Fermi liquid (FL)-like behavior. By compressing δ-CsPbI3 to 80 GPa, an insulator-to-metal transition occurs, concomitant with the completion of a sluggish structural transition from the one-dimensional (1D) Pnma (δ) phase to a 3D Pmn21 (ε) phase. Deviation from FL behavior is observed in CsPbI3 upon entering the metallic ε phase, which progressively evolves into a FL-like state at 186 GPa. First-principles density functional theory calculations reveal that the enhanced electron-electron coupling is related to the Cs-involved electron transfer and sudden increase of the 5d state occupation of the high-pressure ε phase. Our study presents a promising strategy for tuning the electronic interaction in halide perovskites for realizing intriguing electronic states.

cond-mat.mtrl-sci↗

Synthesis and electronic structure characterization of diamane

Atomically thin graphite, known as graphene, has been a marvel in material science because of its exceptional properties, novel physics and promising applications. Atomically thin diamond, called diamane, has also attracted considerable scientific interest due to its potential physical and mechanical properties. However, until now there has been no reports of successful synthesis of a free-standing pristine diamane film. Here, we report the synthesis and electronic structure characterization of diamane. Electrical measurements, x-ray diffraction and theoretical simulations reveal that trilayer and thicker graphene transform to hexagonal diamane (h-diamane) when compressed to above 20 GPa, which can be preserved down to few GPa. Raman studies indicate that the sample quenched from high pressure and high temperature also has a h-diamane structure, i.e., h-diamane is recovered back to ambient conditions. Optical absorption and band structure calculations reveal an indirect energy gap of 2.8 eV in the diamane film. Compared to gapless graphene, diamane with sizable bandgap may open up new applications of carbon semiconductors.

cond-mat.mtrl-sci↗

Diffusion-controlled Alloying of Single-phase Multi-principal Covalent Transition Metal Carbides with Enhanced Damage tolerance and Exceptional Thermal Properties

Multicomponent alloying has displayed extraordinary potential for producing exceptional structural and functional materials. However, the synthesis of single-phase, multi-principal covalent compounds remains a challenge. Here we present a diffusion-controlled alloying strategy for the successful realization of covalent multi-principal transition metal carbides (MPTMCs) with a single face-centered cubic (FCC) phase. The increased interfacial diffusion promoted by the addition of a nonstoichiometric compound leads to rapid formation of the new single phase at much lower sintering temperature. Direct atomic-level observations via scanning transmission electron microscopy demonstrate that MPTMCs are composed of a single phase with a random distribution of all cations, which holds the key to the unique combinations of improved fracture toughness, superior Vickers hardness, and extremely lower thermal diffusivity achieved in MPTMCs. The present discovery provides a promising approach toward the design and synthesis of next-generation high-performance materials.

cond-mat.mtrl-sci↗

High pressure synthesis of a hexagonal close-packed phase of the high-entropy alloy CrMnFeCoNi

High-entropy alloys, near-equiatomic solid solutions of five or more elements, represent a new strategy for the design of materials with properties superior to those of conventional alloys. However, their phase space remains constrained, with transition metal high-entropy alloys exhibiting only face- or body-centered cubic structures. Here, we report the high-pressure synthesis of a hexagonal close-packed phase of the prototypical high-entropy alloy CrMnFeCoNi. This martensitic transformation begins at 14 GPa and is attributed to suppression of the local magnetic moments, destabilizing the initial fcc structure. Similar to fcc-to-hcp transformations in Al and the noble gases, the transformation is sluggish, occurring over a range of >40 GPa. However, the behaviour of CrMnFeCoNi is unique in that the hcp phase is retained following decompression to ambient pressure, yielding metastable fcc-hcp mixtures. This demonstrates a means of tuning the structures and properties of high-entropy alloys in a manner not achievable by conventional processing techniques.

cond-mat.mtrl-sci↗

Pressure tuning the lattice and optical response of silver sulfide

Binary transition metal chalcogenides have attracted increasing attention for their unique structural and electronic properties. High pressure is powerful tool for tuning their crystal structure and electronic structure away from their pristine states.In this work, we systematically studied the in situ structural and optical behavior of silver sulfide (Ag2S) under pressure by X-ray diffraction (XRD) and Infrared (IR) spectroscopy measurements in a diamond anvil cell. Upon compression, Ag2S undergoes structural symmetrization from monoclinic to orthorhombic, represented by the decrease of angle from 99 to 90 degrees through a series of structural transitions coupled with lattice contractions. IR transmission and reflectivity measurements showed that pressure effectively tunes semiconducting Ag2S into a metal at ~ 22 GPa. Drude model analysis of the IR reflectivity indicates that the optical conductivity evolves significantly, reaching the highest conductivity at ~ 40 GPa. Our results highlight pressure's dramatic role in tuning the structural and electronic state of silver chacogenides.

cond-mat.mtrl-sci↗

Magnetization reversal and negative volume thermal expansion in Fe doped Ca2RuO4

We report physical and structural properties of single-crystal Ca2Ru1-xFexO4 (0<x<0.20) as functions of temperature, magnetic field and pressure. Ca2RuO4 is a structurally-driven Mott insulator with a metal-insulator (MI) transition at TMI = 357 K, which is well separated from antiferromagnetic order at TN = 110 K. Fe substitution for Ru in Ca2RuO4 causes a pronounced magnetization reversal and giant negative volume thermal expansion (NVTE). The magnetization reversal is a result of a field-induced antiferromagnetic coupling between the Ru- and Fe-magnetic sublattices that have different temperature dependence. The NVTE is closely associated with the orthorhombic distortion, and becomes smaller as the orthorhombicity weakens due to either Fe doping or application of pressure. The study highlights an intriguing interplay between lattice, orbital and spin degrees of freedom that is at the root of the novel phenomena in Ca2RuO4.

cond-mat.str-el↗

Pressure induced metallization with absence of structural transition in layered MoSe2

Layered transition-metal dichalcogenides have emerged as exciting material systems with atomically thin geometries and unique electronic properties. Pressure is a powerful tool for continuously tuning their crystal and electronic structures away from the pristine states. Here, we systematically investigated the pressurized behavior of MoSe2 up to ~ 60 GPa using multiple experimental techniques and ab -initio calculations. MoSe2 evolves from an anisotropic two-dimensional layered network to a three-dimensional structure without a structural transition, which is a complete contrast to MoS2. The role of the chalcogenide anions in stabilizing different layered patterns is underscored by our layer sliding calculations. MoSe2 possesses highly tunable transport properties under pressure, determined by the gradual narrowing of its band-gap followed by metallization. The continuous tuning of its electronic structure and band-gap in the range of visible light to infrared suggest possible energy-variable optoelectronics applications in pressurized transition-metal dichalcogenides.

cond-mat.mtrl-sci↗

The Strain Derivatives of $T_c$ in HgBa$_2$CuO$_{4+δ}$: CuO$_2$ Plane Alone is Not Enough

The strain derivatives of $T_c$ along the $a$ and $c$ axes have been determined for HgBa$_2$CuO$_{4+δ}$ (Hg1201), the simplest monolayer cuprate with the highest $T_c$ of all monolayer cuprates ($T_c$ = 97 K at optimal doping). The underdoped compound with the initial $T_c$ of 65 K has been studied as a function of pressure up to 20 GPa by magnetic susceptibility and X-ray diffraction (XRD). The observed linear increase in $T_c$ with pressure is the same as previously been found for the optimally-doped compound. The above results have enabled the investigation of the origins of the significantly different $T_c$ values of optimally doped Hg1201 and the well-studied compound La$_{2-x}$Sr$_{x}$CuO$_{4}$ (LSCO), the latter value of $T_c$ = 40 K being only about 40% of the former. Hg1201 can have almost identical CuO$_6$ octahedra as LSCO if specifically strained. When the apical and in-plane CuO$_2$ distances are the same for the two compounds, a large discrepancy in their $T_c$ remains. Differences in crystal structures and interactions involving the Hg-O charge reservoir layers of Hg1201 may be responsible for the different $T_c$ values exhibited by the two compounds.

cond-mat.supr-con↗

Pressure induced structural transitions and metallization in Ag2Te

High pressure in-situ synchrotron X-ray diffraction experiments were performed on Ag2Te up to 42.6 GPa at room temperature and four phases were identified. Phase I (β-Ag2Te) transformed into phase II at 2.4 GPa, and phase III and phase IV emerged at 2.8 GPa and 12.8 GPa respectively. Combined with first-principles calculations, we solved the phase II and phase III crystal structures, and determined the compressional behavior of phase III. Electronic band structure calculations show that the insulating phase I with a narrow band gap first transforms into semi metallic phase II with the perseverance of topologically non trivial nature, and then to bulk metallic phase III. Density of States (DOS) calculations indicate the contrasting transport behavior for Ag2-δTe and Ag2+δTe under compression. Our results highlight pressure's dramatic role in tuning Ag2Te's electronic band structure, and its novel electrical and magneto transport behaviors.

cond-mat.mtrl-sci↗

Giant atomic displacement induced by built-in strain in metastable Mn$_3$O$_4$

We present x-ray, neutron scattering and heat capacity data that reveal a coupled first-order magnetic and structural phase transition of the metastable mixed-valence post-spinel compound Mn$_3$O$_4$ at 210 K. Powder neutron diffraction measurements reveal a magnetic structure in which Mn$^{3+}$ spins align antiferromagnetically along the edge-sharing \emph{a}-axis, with a magnetic propagation vector k = [1/2, 0, 0]. In contrast, the Mn$^{2+}$ spins, which are geometrically frustrated, do not order until a much lower temperature. Although the Mn$^{2+}$ spins do not directly participate in the magnetic phase transition at 210 K, structural refinements reveal a large atomic shift at this phase transition, corresponding to a physical motion of approximately 0.25 Å even though the crystal symmetry remains unchanged. This "giant" response is due to the coupled effect of built-in strain in the metastable post-spinel structure with the orbital realignment of the Mn$^{3+}$ ion.

cond-mat.str-el↗

Pressure-induced symmetry breaking in tetragonal CsAuI3

Results of in situ high pressure x-ray powder diffraction on the mixed valence compound Cs2Au(I)Au(III)I6 (CsAuI3) are reported, for pressures up to 21 GPa in a diamond anvil cell under hydrostatic conditions. We find a reversible pressure-induced tetragonal to orthorhombic structural transition at 5.5-6 GPa, and reversible amorphization at 12-14 GPa. Two alternative structures are proposed for the high-pressure orthorhombic phase, and are discussed in the context of a possible Au valence transition.

cond-mat.str-el↗

Families of superhard crystalline carbon allotropes induced via cold-compressed graphite and nanotubes

We report a general scheme to systematically construct two classes of structural families of superhard sp3 carbon allotropes of cold compressed graphite through the topological analysis of odd 5+7 or even 4+8 membered carbon rings stemmed from the stacking of zigzag and armchair chains. Our results show that the previously proposed M, bct-C4, W and Z allotropes belong to our currently proposed families and that depending on the topological arrangement of the native carbon rings numerous other members are found that can help us understand the structural phase transformation of cold-compressed graphite and carbon nanotubes (CNTs). In particular, we predict the existence of two simple allotropes, R- and P-carbon, which match well the experimental X-ray diffraction patterns of cold-compressed graphite and CNTs, respectively, display a transparent wide-gap insulator ground state and possess a large Vickers hardness comparable to diamond.

cond-mat.mtrl-sci↗

The effect of compressive strain on the Raman modes of the dry and hydrated BaCe0.8Y0.2O3 proton conductor

The BaCe0.8Y0.2O3-δ proton conductor under hydration and under compressive strain has been analyzed with high pressure Raman spectroscopy and high pressure x-ray diffraction. The pressure dependent variation of the Ag and B2g bending modes from the O-Ce-O unit is suppressed when the proton conductor is hydrated, affecting directly the proton transfer by locally changing the electron density of the oxygen ions. Compressive strain causes a hardening of the Ce-O stretching bond. The activation barrier for proton conductivity is raised, in line with recent findings using high pressure and high temperature impedance spectroscopy. The increasing Raman frequency of the B1g and B3g modes thus implies that the phonons become hardened and increase the vibration energy in the a-c crystal plane upon compressive strain, whereas phonons are relaxed in the b-axis, and thus reveal softening of the Ag and B2g modes. Lattice toughening in the a-c crystal plane raises therefore a higher activation barrier for proton transfer and thus anisotropic conductivity. The experimental findings of the interaction of protons with the ceramic host lattice under external strain may provide a general guideline for yet to develop epitaxial strained proton conducting thin film systems with high proton mobility and low activation energy.

cond-mat.mtrl-sci↗

High pressure evolution of Fe$_{2}$O$_{3}$ electronic structure revealed by X-ray absorption

We report the first high pressure measurement of the Fe K-edge in hematite (Fe$_2$O$_3$) by X-ray absorption spectroscopy in partial fluorescence yield geometry. The pressure-induced evolution of the electronic structure as Fe$_2$O$_3$ transforms from a high-spin insulator to a low-spin metal is reflected in the x-ray absorption pre-edge. The crystal field splitting energy was found to increase monotonically with pressure up to 48 GPa, above which a series of phase transitions occur. Atomic multiplet, cluster diagonalization, and density-functional calculations were performed to simulate the pre-edge absorption spectra, showing good qualitative agreement with the measurements. The mechanism for the pressure-induced phase transitions of Fe$_2$O$_3$ is discussed and it is shown that ligand hybridization significantly reduces the critical high-spin/low-spin pressure.

cond-mat.str-el↗