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Journal of Physics: Condensed Matter - latest papers

Latest articles for Journal of Physics: Condensed Matter

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  • Interface phonon transport in nanomaterials: numerical methods and modulation strategies
    The thermal properties of interfaces in nanomaterials are critical for various technological applications, including thermal management in electronic and photonic devices, thermoelectric conversion and thermal insulation. Recent advancements in numerical simulation tools (the non-equilibrium Green’s approach, the Boltzmann transport equation and the Monte Carlo method, molecular dynamics simulations) have significantly enhanced our understanding of phonon transport and scattering processes in nanomaterials. These advances have led to the discovery of new thermal interfacial materials and enabled precise modulation of phonon thermal conductance to achieve desired thermal performance. This review summarizes recent research progress in interface thermal transport, focusing on intriguing heat phenomena such as finite size effect and phonon coherent property. Additionally, it discusses strategies for modulating thermal conductance through disorder and roughness. Finally, the review proposes the opportunities and challenges associated with modulating interface thermal transport.

  • Phase behavior and atomic dynamics in Rb x Na1–x : insights from machine learning interatomic potentials based on ab initio molecular dynamics
    Liquid alkali metal alloys have garnered significant attention because of their potential applications in coolant systems and batteries, driven by the need for environmental conservation and technological development. However, research on these complex systems is limited, necessitating a deeper understanding to ensure their safe and effective utilization. This study presents a comprehensive investigation of the factors that determine the phase diagram of RbxNa . By reproducing the experimental results using the thermodynamic integration method and machine learning interatomic potentials based on ab initio molecular dynamics simulations, we uncovered the delicate balance between the energy and entropy contributions that influence the phase stability of these liquid metal alloys. Further analysis of the liquid phase revealed the crucial roles of volume and atomic mass. Additionally, the coordination numbers of the atoms revealed distinct clustering behaviors, where Na atoms tended to avoid proximity to other Na atoms, whereas Rb atoms exhibited a strong tendency to cluster together. Moreover, the diffusion dynamics further illustrated the asymmetry in the behavior of Rb and Na, with Rb showing increased diffusion at higher concentrations and Na exhibiting higher diffusion at lower concentrations. These findings offer significant insights into the phase stability and the dynamic and structural properties of these complex liquid metal alloys.

  • Enhanced energy storage performance in BaZr x Ti1–x O3 lead-free ferroelectrics near phase transitions
    The present study explores the energy storage properties of BaZrxTi O3 through phase-field modeling, focusing on the impact of composition and temperature on energy storage performance. The obtained results reveal a variety of polarization phases and configurations based on Zr compositions and temperatures. A detailed phase diagram for temperature-composition of BaZrxTi O3 is established, closely aligning with experimental measurements. Variations in Zr content and temperature have a significant impact on the polarization-electric field (P − E) response, influencing the energy storage properties. Calculations of energy storage properties are derived from the P − E response. In addition, a thorough diagram is developed to illustrate the discharge energy density of BaZrxTi O3 as a function of temperature and composition. Notably, high discharge energy density is achievable near the Curie temperature, corresponding to the transition from ferroelectric to paraelectric phase. Furthermore, the present study emphasizes the importance of the disparity between maximum and remanent polarization, as well as the electric field-dependent effective permittivity, in determining the discharge energy density.

  • Electromagnetically tunable spin-valley-polarized current via anomalous Nernst effect in monolayer of jacutingaite
    Monolayer jacutingaite (Pt2HgSe3) exhibits remarkable properties, including significant spin–orbit coupling (SOC) and a tunable band gap, attributed to its buckled honeycomb geometry and the presence of heavy atoms. In this study, we explore the spin- and valley-dependent anomalous Nernst effect (ANE) in jacutingaite under the influence of a vertical electric field, off-resonance circularly polarized light (OCPL), and an antiferromagnetic exchange field. Our findings, within the low-energy approximation, reveal the emergence of a perfectly spin-polarized ANE with the application of appropriate OCPL and a perfectly valley-polarized ANE under an antiferromagnetic exchange field. Leveraging the robust SOC inherent in monolayer jacutingaite, our study highlights the potential to attain perfectly spin-valley-polarized Nernst currents across a wide range of Fermi energy levels by combining these fields in pairs with a suitable strength. The findings can be used for the development of spin-valley-based optoelectronic devices.

  • Topological Hall effect instigated in kagome Mn3–xSn due to Mn-deficit induced noncoplanar spin structure
    Magnetic topological semimetals are manifestations of the interplay between electronic and magnetic phases of matter, leading to peculiar characteristics such as the anomalous Hall effect (AHE) and the topological Hall effect (THE). Mn3Sn is a time-reversal symmetry-broken magnetic Weyl semimetal showing topological characteristics within the Kagome lattice network. This study reveals a large THE in Mn2.8Sn (6% Mn deficit Mn3Sn) at room temperature in the xy-plane, despite being an antiferromagnet. We argue that the magnetocrystalline anisotropy induced noncoplanar spin structure is responsible for the observed THE in these systems. Further, the topological properties of these systems are highly anisotropic, as we observe a large AHE in the zx-plane. We find that Fe doping at the Mn site, Mn FexSn (x = 0.2, 0.25, & 0.35), tunes the topological properties of these systems. These findings promise the realization of potential topotronic applications at room temperature.