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Results for “Negative triangularity”

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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116 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Interplay between strong correlations and electronic topology in the underlying kagome lattice of $\mathrm{Na_{2/3}CoO_2}$

Electronic topology in metallic kagome compounds is under intense scrutiny. We present transport experiments in $\mathrm{Na_{2/3}CoO_2}$ n which the Na order differentiates a Co kagome sublattice in the triangular CoO 2 layers. Hall and magnetoresistance (MR) data under high fields give evidence for the coexistence of light and heavy carriers. At low temperatures, the dominant light carrier conductivity at zero field is suppressed by a B-linear MR, suggesting Dirac-like quasiparticles. Lifshitz transitions induced at large B and T unveil the lower mobility carriers. They display a negative B 2 MR due to scattering from magnetic moments likely pertaining to a flat band. So, we emphasize an analogy with heavy fermion physics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Candidate spin-liquid ground state in CsNdSe 2 with an effective spin-1/2 triangular lattice

Rare-earth-based triangular lattice materials are extremely attractive for studying unconventional magnetism. Here, we report the magnetic properties of layered CsNdSe 2 based on direct current (DC) and alternating current (AC) susceptibility measurements down to 0.04 K. While the AC susceptibility at the zero DC field shows a broad hump below 0.5 K, there is no sign of any long-range magnetic ordering. Quantitative analysis of the DC magnetic susceptibility gives the negative Curie-Weiss (CW) temperature θ CW < 0 in all directions, indicating antiferromagnetic interaction between Nd ions. Of particular interest is the low temperature magnetic susceptibility, which reflects the effective spin-1/2 state with $\theta^a_{\text {cw}}/\theta^c_{\text {cw}}$ > 3. The estimated exchange interactions are J a /k B = 1.42 K (in-plane) and J c /k B = 0.44 K (out-of-plane), pointing to the anisotropic magnetism. First-principles calculations that include spin-orbit coupling and Coulomb correlations reveal multiple states with zero net magnetization for CsNdSe 2 . Both experiment and simulation strongly suggest CsNdSe 2 has the spin liquid ground state with effective spin-1/2. Application of a magnetic field can induce long-range antiferromagnetic ordering with the maximum transition temperature around 0.3 K, in further support of the zero-field spin liquid state.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ionic Control over Ferroelectricity in 2D Layered van der Waals Capacitors

The van der Waals layered material CuInP 2 S 6 features interesting functional behavior, including the existence of four uniaxial polarization states, polarization reversal against the electric field through Cu ion migration, a negative-capacitance regime, and reversible extraction of Cu ions. At the heart of these characteristics lies the high mobility of Cu ions, which also determines the spontaneous polarization. Therefore, Cu migration across the lattice results in unusual ferroelectric behavior. Here, we demonstrate how the interplay of polar and ionic properties provides a path to ionically controlled ferroelectric behavior, achieved by applying selected DC voltage pulses and subsequently probing ferroelectric switching during fast triangular voltage sweeps. Using current measurements and theoretical calculations, we observe that increasing DC pulse duration results in higher ionic currents, the buildup of an internal electric field that shifts polarization loops, and an increase in total switchable polarization by ~50% due to the existence of a high polarization phase which is stabilized by the internal electric field. Apart from tuning ferroelectric behavior by selected square pulses, hysteretic polarization switching can even be entirely deactivated and reactivated, resulting in three-state systems where polarization switching is either inhibited or can be performed in two different directions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The effect of triangularity on predicted pedestals for the CFETR

In this work, the dominant unstable magnetohydrodynamic mode and its stable region in the pedestal of the China Fusion Engineering Test Reactor are studied by numerical modeling with the peeling-ballooning theory over a wide range of triangularities (δ) and collisionalities (υ*). A new accessible stable region is found at δ<−0.1 for large βN,ped and υ*. This new stable region expands toward lower βN,ped and υ* with decreasing δ and is totally covered by the peeling unstable region with δ=−0.5 because of the increasing trapped particle fraction (ft,eff). The sensitivity of this new stable region to the kinetic ballooning mode constraint and elongation is studied. For negative and low δ<0.1, the boundary of the first stable region is determined from the ballooning mode. For δ>0.1, the peeling mode becomes dominant as the boundary approaches low s with low υ*, while the ballooning mode is still dominant at the boundary with high υ*. When δ increases beyond 0.46, the first stable region is expanded, and access to the second stable region of the ballooning mode opens up. The entire newly connected region of the first and second stable regions keeps expanding with further increases in δ until δ=0.6. Beyond this value, the ballooning mode becomes more unstable with increasing δ, while the peeling mode is approximately unchanged with increasing δ in this range. The change in the dominant mode and the stable region with increasing δ can be explained by the trade-off between the stabilization effect from the deeper poloidal magnetic well and destabilization due to the enlarged drive term.

Physics↗
DOE OSTI2022

Hamming distance and the onset of quantum criticality

Simulating models for quantum correlated matter unveils the inherent limitations of deterministic classical computations. In particular, in the case of quantum Monte Carlo methods, this is manifested by the emergence of negative weight configurations in the sampling, that is, the sign problem (SP). There have been several recent calculations which exploit the SP to locate underlying critical behavior. Here, utilizing a metric that quantifies phase-space ergodicity in such sampling, the Hamming distance, we suggest a significant advance on these ideas to extract the location of quantum critical points in various fermionic models, in spite of the presence of a severe SP. Combined with other methods, exact diagonalization in our case, it elucidates both the nature of the different phases as well as their location, as we demonstrate explicitly for the honeycomb and triangular Hubbard models, in both their U(1) and SU(2) forms. Furthermore, our approach exemplifies a possible path allowing the exploration of the phase diagram of a variety of fermionic quantum models hitherto considered to be impractical via quantum Monte Carlo simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Decoupling Lattice and Magnetic Instabilities in Frustrated CuMnO2

The AMnO 2 delafossites (A = Na, Cu) are model frustrated antiferromagnets, with triangular layers of Mn 3+ spins. At low temperatures (T N = 65 K), a C2/m → P$\bar1$ transition is found in CuMnO 2 , which breaks frustration and establishes magnetic order. In contrast to this clean transition, A = Na only shows short-range distortions at T N . Here, we report a systematic crystallographic, spectroscopic, and theoretical investigation of CuMnO 2 . We show that, even in stoichiometric samples, nonzero anisotropic Cu displacements coexist with magnetic order. Using X-ray/neutron diffraction and Raman scattering, we show that high pressures act to decouple these degrees of freedom. This manifests as an isostuctural phase transition at ~10 GPa, with a reversible collapse of the c-axis. This is shown to be the high-pressure analogue of the c-axis negative thermal expansion seen at ambient pressure. Density functional theory (DFT) simulations confirm that dynamical instabilities of the Cu + cations and edge-shared MnO 6 layers are intertwined at ambient pressure. However, high pressure selectively activates the former, before an eventual predicted reemergence of magnetism at the highest pressures. Our results show that the lattice dynamics and local structure of CuMnO 2 are quantitatively different from nonmagnetic Cu delafossites and raise questions about the role of intrinsic inhomogeneity in frustrated antiferromagnets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Polyhexatic and polycrystalline states of skyrmion lattices

We report Monte Carlo studies of lattices of up to 10 5 skyrmions treated as particles with negative core energy and repulsive interaction obtained from a microscopic spin model. Temperature dependence of translational and orientational correlations has been investigated for different experimental protocols and initial conditions. Cooling the skyrmion liquid from a fully disordered high-temperature state results in the formation of a skyrmion polycrystal. A perfect skyrmion lattice prepared at T = 0, on raising temperature undergoes a first-order melting transition into a polyhexatic state that consists of large orientationally ordered domains of fluctuating shape. On the further increasing temperature, these domains decrease in size, leading to a fully disordered liquid of skyrmions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Dual Mechanism for Transient Capacitance Anomaly in Improper Ferroelectrics

Negative capacitance (NC) effects in ferroelectrics can potentially break fundamental limits of power dissipation known as “Boltzmann tyranny.” However, the origin of transient NC of ferroelectrics, which is attributed to two different mechanisms involving free-energy landscape and nucleation, is under intense debate. Here, we report the coexistence of transient NC and an S-shaped anomaly during the switching of ferroelectric hexagonal ferrites capacitor in an RC circuit. The early-stage NC arises from the nucleation process, while the late-stage S-shaped anomaly corresponds to a nascent NC associated with the free-energy landscape. The entire waveform can be reproduced using a hybrid model that simultaneously incorporates these two mechanisms. These results highlight the multivariable free-energy landscape of hexagonal ferrites that enables an abrupt change of the internal field and demonstrate that the two mechanisms are not mutually exclusive, resolving the long-standing debate. In conclusion, the behavior of the S-shaped anomaly also provides a pathway to extract parameters of free-energy landscape and switching dynamics.

Capacitance↗