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Results for “Quantum Phase Transition”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Signatures of a liquid–liquid transition in an ab initio deep neural network model for water

Significance Water is central across much of the physical and biological sciences and exhibits physical properties that are qualitatively distinct from those of most other liquids. Understanding the microscopic basis of water’s peculiar properties remains an active area of research. One intriguing hypothesis is that liquid water can separate into metastable high- and low-density liquid phases at low temperatures and high pressures, and the existence of this liquid–liquid transition could explain many of water’s anomalous properties. We used state-of-the-art approaches in computational quantum chemistry, statistical mechanics, and machine learning and obtained evidence consistent with a liquid–liquid transition, supporting the argument for the existence of this phenomenon in real water.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Strong Kitaev Interaction in BaCo 2⁢ (AsO 4 ) 2

The inelastic neutron scattering results and their analysis unequivocally point to a dominant Kitaev interaction in the honeycomb-lattice cobaltate BaCo 2 ⁢(AsO 4 ) 2 . Our anisotropic-exchange model closely describes all available neutron scattering data in the material’s field-polarized phase. Furthermore, the density-matrix renormalization group results for our model are in close accord with the unusual double-zigzag magnetic order and the low in-plane saturation field of BaCo 2 ⁢(AsO 4 ) 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Rearrangement of Electroluminescence Spectra in Type-II n-InAs/n-InAsSbP Heterostructures

Single heterostructures of type II n{sup +}-InAs/n{sup 0}-InAs{sub 0.59}Sb{sub 0.16}P{sub 0.25}, based on an intentionally undoped epitaxial layer with an electronic type of conductivity are obtained by metalorganic vapor phase epitaxy (MOVPE). In the heterostructure, a transition layer of modulated composition is formed near the heterointerface in the bulk of the quaternary solid solution. The existence of a radiative recombination channel due to the presence of localized hole states in quantum wells formed in the transition layer near the heterointerface is shown. It is demonstrated that the maximum of the intensity of the electroluminescence spectrum of the heterostructure under study is rearranged when a forward external bias is applied. The results of this study can be used in the development of tunable light-emitting diodes operating in the midinfrared range of 2–4 μm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Future directions for active matter on ordered substrates

Active matter is a term encompassing particle-based assemblies with some form of self-propulsion, including certain biological systems as well as synthetic systems such as artificial colloidal swimmers, all of which can exhibit a remarkable variety of new kinds of nonequilibrium phenomena. A wealth of non-active condensed matter systems can be described in terms of a collection of particles coupled to periodic substrates, leading to the emergence of commensurate-incommensurate effects, Mott phases, tribology effects, and pattern formation. It is natural to ask how such phases are modified when the system is active. Here we provide an overview and future directions for studying individual and collectively interacting active matter particles coupled to periodic substrates, where new types of commensuration effects, directional locking, and active phases can occur. Importantly, further directions for exploration include directional locking effects, the realization of active solitons or active defects in incommensurate phases, active Mott phases, active artificial spin ice, active doping transitions, active floating phases, active surface physics, active matter time crystals, and active tribology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Palladium at high pressure and high temperature: A combined experimental and theoretical study

Palladium is one of the most important technological materials, yet its phase diagram remains poorly understood. At ambient conditions, its solid phase is face-centered cubic (fcc). However, another solid phase of Pd, body-centered cubic (bcc), was very recently predicted in two independent theoretical studies to occur at high pressures and temperatures. In this work, we report an experimental study on the room-temperature equation of state (EOS) of Pd to a pressure of 80 GPa, as well as a theoretical study on the phase diagram of Pd including both fcc-Pd and bcc-Pd. Our theoretical approach consists in ab initio quantum molecular dynamics (QMD) simulations based on the Z methodology which combines both direct Z method for the simulation of melting curves and inverse Z method for the calculation of solid–solid phase transition boundaries. We obtain the melting curves of both fcc-Pd and bcc-Pd and an equation for the fcc–bcc solid– solid phase transition boundary as well as the thermal EOS of Pd which is in agreement with experimental data and QMD simulations. We uncover the presence of another solid phase of Pd on its phase diagram, namely, random hexagonal close-packed (rhcp), and estimate the location of the rhcp-bcc solid–solid phase transition boundary and the rhcp–fcc–bcc triple point. We also discuss the topological similarity of the phase diagrams of palladium and silver, the neighbor of Pd in the periodic table. We argue that Pd is a reliable standard for shock-compression studies and present the analytic model of its principal Hugoniot in a wide pressure range.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nematic transitions in iron pnictide superconductors imaged with a quantum gas

The Scanning Quantum Cryogenic Atom Microscope (SQCRAMscope) uses an atomic Bose–Einstein condensate to measure magnetic fields emanating from solid-state samples. The quantum sensor does so with unprecedented d.c. sensitivity at micrometre resolution, from room to cryogenic temperatures. An additional advantage of the SQCRAMscope is the preservation of optical access to the sample so that magnetometry imaging of, for example, electron transport may be performed in concert with other imaging techniques. Here, we apply this multimodal imaging capability to the study of nematicity in iron pnictide high-temperature superconductors, where the relationship between electronic and structural symmetry breaking resulting in a nematic phase is under debate. We combine the SQCRAMscope with an in situ microscope that measures optical birefringence near the surface. This enables simultaneous and spatially resolved detection of both bulk and near-surface manifestations of nematicity via transport and structural deformation channels, respectively. By performing local measurements of emergent resistivity anisotropy in iron pnictides, we observe sharp, nearly concurrent transport and structural transitions. More broadly, these measurements demonstrate the SQCRAMscope’s ability to reveal important insights into the physics of complex quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Non-thermal resistive switching in Mott insulator nanowires

Abstract Resistive switching can be achieved in a Mott insulator by applying current/voltage, which triggers an insulator-metal transition (IMT). This phenomenon is key for understanding IMT physics and developing novel memory elements and brain-inspired technology. Despite this, the roles of electric field and Joule heating in the switching process remain controversial. Using nanowires of two archetypal Mott insulators—VO 2 and V 2 O 3 we unequivocally show that a purely non-thermal electrical IMT can occur in both materials. The mechanism behind this effect is identified as field-assisted carrier generation leading to a doping driven IMT. This effect can be controlled by similar means in both VO 2 and V 2 O 3 , suggesting that the proposed mechanism is generally applicable to Mott insulators. The energy consumption associated with the non-thermal IMT is extremely low, rivaling that of state-of-the-art electronics and biological neurons. These findings pave the way towards highly energy-efficient applications of Mott insulators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Perovskite magnet with quantum mechanical glassiness

Magnetic materials of strongly correlated origin are at the forefront of research in the exploration of new quantum mechanical properties involving spin and charges. Quantum magnetic material with certain intrinsic functionalities, such as continuously fluctuating spins to the lowest accessible temperature - reminiscing a liquid pattern, is argued to form a new phase of matter. Envisaging a phenomenon where the continuously fluctuating spins are also randomly frozen in space, can diminish the distinction between the two opposite extremes of quantum and classical magnetism. Here, we report new evidence in this regard where the coexistence of quantum spin continuum with a spin glass order in Co-doped CaRuO3 perovskite is demonstrated. In experimental investigations of Co-doped CaRuO3 perovskite, we find that (a) a continuum spectrum in the energy-momentum space, due to the uncorrelated spin fluctuations, persists across the weak spin glass transition at T G ≃ 23 K and (b) the quantum fluctuation of magnetic moment is spatially confined to individual sites only, thereby making it an extremely local event. Thus, the fluctuating spins, at a given time, are also randomly frozen macroscopically. The experimental observations suggest the discovery of a new magnetic phase at the cross-road of classical and quantum physics in strongly correlated perovskite materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Interactions Enhance Ramp Reversal Memory in Locally Phase Separated Materials

The ramp-reversal memory (RRM) effect in metal–insulator transition metal oxides (TMOs), a non-volatile resistance change induced by repeated temperature cycling, has attracted considerable interest in neuromorphic computing and non-volatile memory devices. Our previous defect motion model successfully explained RRM in vanadium dioxide (VO 2 ), capturing observed critical temperature shifts and memory accumulation throughout the sample. However, this approach lacked interactions between metallic and insulating domains. Here, we extend our model by combining a correlated Random Field Ising Model with defect diffusion-segregation, enabling accurate hysteresis modeling while predicting the relationship between RRM and domain interactions. Our simulations demonstrate that the maximum RRM occurs when the turnaround temperature approaches the inflection point. This peak in RRM vs. turnaround temperature is consistent with prior transport measurements, as well as our own optical measurements reported here. Significantly, we find that increasing nearest-neighbor interactions enhances the maximum memory effect, thus providing a clear mechanism for optimizing RRM performance. Since our model employs minimal assumptions, we predict that RRM should be a widespread phenomenon in materials exhibiting patterned phase coexistence of electronic domains. This work not only advances fundamental understanding of memory behavior in TMOs but also establishes a much-needed theoretical framework for optimizing device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Theory of quantum kagome ice and vison zero modes

We derive an effective Z 2 gauge theory to describe the quantum kagome ice (QKI) state that has been observed by Carrasquilla et al. [Nat. Commun. 6, 7421 (2015)] in Monte Carlo studies of the S = $\frac{1}{2}$ kagome XYZ model in a Zeeman field. The numerical results on QKI are consistent with, but do not confirm or rule out, the hypothesis that it is a Z 2 spin liquid. Our effective theory allows us to explore this hypothesis and make a striking prediction for future numerical studies, namely, that symmetry-protected vison zero modes arise at lattice disclination defects, leading to a Curie defect term in the spin susceptibility, and a characteristic (N dis - 1) ln 2 contribution to the entropy, where N dis is the number of disclinations. Only the Z 2 Ising symmetry is required to protect the vison zero modes. This is remarkable because a unitary Z 2 symmetry cannot be responsible for symmetry-protected degeneracies of local degrees of freedom. We also discuss other signatures of symmetry fractionalization in the Z 2 spin liquid, and phase transitions out of the Z 2 spin liquid to nearby ordered phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Tunable quantum logic gate on photonic qubits with a ladder emitter

We describe how a ladder emitter can implement a tunable quantum logic gate on photonic qubits encoded in the frequency basis. The ground-to-first excited state of the ladder emitter interacts with the control photon, and the first-to-second excited state transition interacts with the target photon. By controlling the relative detuning between the target photon and the first-to-second excited state transition of the ladder emitter, we enable any controlled-phase operation from 0 to π. We derive analytical formulas for the performance of the gate through the S-matrix formalism as well as describe the mechanism intuitively. This gate is deterministic, does not utilize any active control, and needs only a single ladder emitter, enabling low-footprint and more efficient decomposition of quantum circuits, especially the quantum Fourier transform. We suggest multiple potential systems for physical realization of our proposal, such as lanthanide ions embedded in Purcell-enhanced cavities. We expect these results to motivate further interest in photonic quantum information processing with designer emitters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Large magnetoresistance and first-order phase transition in antiferromagnetic single-crystalline EuAg 4 Sb 2

Here, we present the results of a thorough investigation of the physical properties of EuAg 4 Sb 2 single crystals using magnetization, heat capacity, and electrical resistivity measurements. High-quality single crystals, which crystallize in a trigonal structure with space group 𝑅⁢$\bar{3}$𝑚, were grown using a conventional flux method. Temperature-dependent magnetization measurements along different crystallographic orientations confirm two antiferromagnetic phase transitions around 𝑇 𝑁⁢1 = 10.5K and 𝑇 𝑁⁢2 = 7.5K. Isothermal magnetization data exhibit several metamagnetic transitions below these transition temperatures. Antiferromagnetic phase transitions in EuAg 4 Sb 2 are further confirmed by two sharp peaks in the temperature-dependent heat capacity data at 𝑇 𝑁⁢1 and 𝑇 𝑁⁢2 , which shift to lower temperature in the presence of an external magnetic field. Our systematic heat capacity measurements utilizing a long-pulse and single-slope analysis technique allow us to detect a first-order phase transition in EuAg 4 Sb 2 at 7.5 K. The temperature-dependent electrical resistivity data also manifest two features associated with magnetic order. The magnetoresistance exhibits a broad hump due to a field-induced metamagnetic transition. Remarkably, the magnetoresistance keeps increasing without showing any tendency to saturate as the applied magnetic field increases, and it reaches ∼20 000% at 1.6 K and 60 T. At high magnetic fields, several magnetic quantum oscillations are observed, indicating a complex Fermi surface. A large negative magnetoresistance of about −55% is also observed near 𝑇 𝑁⁢1 . Moreover, the 𝐻−𝑇 phase diagram constructed using magnetization, heat capacity, and magnetotransport data indicates complex magnetic behavior in EuAg 4 Sb 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2025

Revealing the electronic structure of van der Waals antiferromagnetic NiPS 3 through synchrotron-based 𝜇-ARPES and alkali metal dosing

Antiferromagnetic NiPS 3 has recently emerged as a quantum material of considerable interest, thanks to the discovery of multiple new couplings involving electrons, spins, orbitals, phonons, and magnons. However, controversies and open questions persist concerning the fundamental origins of these couplings. A critical piece of information required to advance the understanding is the precise electronic band structure of NiPS 3 . Angle-resolved photoemission spectroscopy (ARPES), combined with alkali metal dosing (AMD), can enable us to directly observe the subtle electronic states that appear around the Fermi surface, offering valuable insights into the intriguing quantum properties and interplays of the examined material. Here, in this study, we present a comprehensive characterization and analysis of the band structure of van der Waals layered antiferromagnet NiPS 3 , leveraging state-of-the-art μ-ARPES measurements supported by density functional theory (DFT) calculations. Theoretical DFT results identify the orbital contributions to the observed bands, providing a precise understanding of the experimental ARPES data. Crucially, AMD enables the observation of conduction band and defect-related states above the valence band maximum in NiPS 3 . Furthermore, temperature dependent ARPES results across the Néel transition temperature of NiPS 3 reveal that the paramagnetic and antiferromagnetic phases have nearly identical band structures, underlining the highly localized character of Ni d states. These findings substantially deepen our understanding of the electronic properties of NiPS 3 and lay a vital foundation for exploring the intriguing quantum phenomena it exhibits.

Cao, Yifeng [Boston Univ., MA (United States); Law↗
DOE OSTI2013

Commensurate and incommensurate states of a spin density wave in a quasi-two-dimensional system with an anisotropic energy spectrum in an external magnetic field of arbitrary direction relative to magnetization

A theory of thermodynamic properties of a spin density wave (SDW) in a quasi-two-dimensional system (with a preset impurity concentration x) is constructed. We choose an anisotropic dispersion relation for the electron energy and assume that external magnetic field H has an arbitrary direction relative to magnetic moment M{sub Q}. The system of equations defining order parameters M{sub Q}{sup z}, M{sub Q}{sup {sigma}}, M{sub z}, and M{sup {sigma}} is constructed and transformed with allowance for the Umklapp processes. Special cases when H Double-Vertical-Line M{sub Q} and H Up-Tack M{sub Q} (H{sub Z}H{sup {sigma}} = 0) are considered in detail as well as cases of weak fields H of arbitrary direction. The condition for the transition of the system to the commensurate and incommensurate states of the SDW is analyzed. The concentration dependence of magnetic transition temperature T{sub M} is calculated, and the components of the order parameter for the incommensurate phase are determined. The phase diagram (T,{approx}x) is constructed. The effect of the magnetic field on magnetic transition temperature T{sub M} is analyzed for H{sub Z}H{sup {sigma}} = 0, and longitudinal magnetic susceptibility {chi} Double-Vertical-Line is calculated; this quantity demonstrates the temperature dependence corresponding to a system with a gap for x < x{sub c} and to a gapless state for x > x{sub c}. In the immediate vicinity of the critical impurity concentration (x {approx} x{sub c}), the temperature dependence of the magnetic susceptibility acquires a local maximum. The effect of anisotropy of the electron energy spectrum on the investigated physical quantities is also analyzed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Non-resonant electromechanical energy harvesting using inter-ferroelectric phase transitions

Non-resonant electromechanical energy harvesting is demonstrated under low frequency excitation (<50 Hz) using [110]{sub C}-poled lead indium niobate-lead magnesium niobate-lead titanate relaxor ferroelectric single crystals with compositions near the morphotropic phase boundary. The efficiency of power generation at the stress-induced phase transition between domain-engineered rhombohedral and orthorhombic ferroelectric states is as much as four times greater than is obtained in the linear piezoelectric regime under identical measurement conditions but during loading below the coercive stress of the phase change. The phase transition mode of electromechanical transduction holds potential for non-resonant energy harvesting from low-frequency vibrations and does not require mechanical frequency up-conversion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Dynamics of skyrmions in chiral magnets: Dynamic phase transitions and equation of motion

We study the dynamics of skyrmions in a metallic chiral magnet. First, we show that skyrmions can be created dynamically by destabilizing the ferromagnetic background state through a spin polarized current. We then treat skyrmions as rigid particles and derive the corresponding equation of motion. The dynamics of skyrmions is dominated by the Magnus force, which accounts for the weak pinning of skyrmions observed in experiments. Finally, we discuss the quantum motion of skyrmions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Current-driven defect-unbinding transition in an XY ferromagnet

A Keldysh-contour effective field theory is derived for magnetic vortices in the presence of current flow. The effect of adiabatic and nonadiabatic spin-transfer torques on vortex motion is highlighted. Similarities to and differences from the superconducting case are presented and are explained. Current flow across a magnetically ordered state is shown to lead to a defect-unbinding phase transition, which is intrinsically nonequilibrium in the sense of not being driven by a variation in effective temperature. The dependence of the density of vortices on the current density is determined.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Sb surfactant mediated growth of InAs/AlAs{sub 0.56}Sb{sub 0.44} strained quantum well for intersubband absorption at 1.55 μm

Surfactant mediated growth of strained InAs/AlAs{sub 0.56}Sb{sub 0.44} quantum wells on InP (001) substrate is investigated. X ray diffraction and transmission electron microscopy analysis reveal that the supply of antimony on InAs surface delays the 2D to 3D growth transition and allows the growth of thick InAs/AlAsSb quantum wells. Quantum well as thick as 7 ML, without defect was achieved by Sb surfactant mediated growth. Further high resolution transmission electron microscopy measurement and geometric phase analysis show that InAs/AlAsSb interfaces are not abrupt. At InAs on AlAsSb interface, the formation of a layer presenting lattice parameter lower than InP leads to a tensile stress. From energetic consideration, the formation of As rich AlAsSb layer at interface is deduced. At AlAsSb on InAs interface, a compressive layer is formed. The impact on optical properties and the chemical composition of this layer are discussed from microscopic analysis and photoluminescence experiments.

77 NANOSCIENCE AND NANOTECHNOLOGY↗