Journal of Physics: Condensed Matter最新文献

On the shape of Gaussian scale-free polymer networks.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-26 DOI: 10.1088/1361-648X/adb4b6

Viktoria Blavatska, Yurij Holovatch

引用次数: 0

Investigation of MoTe nanowires in honeycomb and kagome lattices: Dirac cones and flat bands. 研究蜂巢和鹿角晶格中的碲镉钼纳米线：狄拉克锥和扁平带

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-25 DOI: 10.1088/1361-648X/adb5e6

Túlio V de Oliveira, Guilherme A S Ribeiro, Mario S C Mazzoni

引用次数: 0

Edge effects in a planar magnet caused by the impact of an electric field.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-25 DOI: 10.1088/1361-648X/adb676

E B Magadeev, R M Vakhitov

引用次数: 0

Ab initio calculations of pressure and temperature dependent elastic constants of lead.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-25 DOI: 10.1088/1361-648X/adba2f

Camille Jacquelin, Etienne Jaupart, Vincent Dubois, Vanessa Riﬀet, Philippe Legrand, Laurianne Pillon Pillon

{"title":"Ab initio calculations of pressure and temperature dependent elastic constants of lead.","authors":"Camille Jacquelin, Etienne Jaupart, Vincent Dubois, Vanessa Riﬀet, Philippe Legrand, Laurianne Pillon Pillon","doi":"10.1088/1361-648X/adba2f","DOIUrl":"https://doi.org/10.1088/1361-648X/adba2f","url":null,"abstract":"In the framework of DFT, we present a methodology that is as ab initio as possible for calculating the elastic constants in pressure and temperature. In this context, elastic constants are derived via the strain-ﬂuctuation formalism involving Born, kinetic and stress ﬂuctuation terms. AIMD trajectories in the isokinetic (NVT) ensemble are performed using the Abinit software to evaluate each term. Stress ﬂuctuations are obtained directly from the trajectories. The Born term, on the other hand, is obtained by extracting several uncorrelated conﬁgurations from the trajectories and applying the energy-strain method. Bayesian inference is used to quantify the uncertainties associated with this procedure. As a result, the methodology enables elastic constants and their uncertainties to be evaluated for a wide range of materials. Admittedly, the whole approach has a high computational cost. In this paper, the method is then applied to solid lead in the fcc and hcp phases at various pressures and temperatures. The elastic constants obtained are linear as a function of temperature and pressure, and are qualitatively consistent with the experimental results available for the fcc phase. The major computational eﬀort involved in obtaining a numerical ab initio reference database for lead can be used to test the accuracy of other approaches using surrogate models.&#xD.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143502049","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Fundamental physical constants, operation of physical phenomena and entropy increase.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-24 DOI: 10.1088/1361-648X/adb9ae

Kostya Trachenko

{"title":"Fundamental physical constants, operation of physical phenomena and entropy increase.","authors":"Kostya Trachenko","doi":"10.1088/1361-648X/adb9ae","DOIUrl":"https://doi.org/10.1088/1361-648X/adb9ae","url":null,"abstract":"Approaching the problem of understanding fundamental physical constants (FPCs) started with discussing the role these constants play in high-energy nuclear physics and astrophysics. Condensed matter physics was relatively unexplored in this regard. More recently, it was realised that FPCs set lower or upper bounds on key condensed matter properties. Here, we discuss a wider role played by FPCs in condensed matter physics: at given environmental conditions, FPCs set the observability and operation of entire physical effects and phenomena. We discuss structural and superconducting phase transitions and transitions between different states of matter. We also discuss metastable states, transitions between them, chemical reactions and their products. An interesting byproduct of this discussion is that the order of magnitude of the transition temperature can be calculated from FPCs. We show that the new states emerging as a result of various transitions increase the phase space and entropy. Were FPCs to take different values, these transitions would become inoperative at our environmental conditions and the new states due to these transitions would not emerge. This suggests that the current values of FPCs, by enabling various transitions and reactions which give rise to new states, promote entropy increase. We conjecture that entropy increase is a selection principle for FPCs considered to be variable in earlier discussions.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143492499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Peering into interfaces in perovskite solar cells: A first-principles perspective.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-24 DOI: 10.1088/1361-648X/adb9ad

Xu-Tong Liu, Jinshan Li, Xie Zhang

{"title":"Peering into interfaces in perovskite solar cells: A first-principles perspective.","authors":"Xu-Tong Liu, Jinshan Li, Xie Zhang","doi":"10.1088/1361-648X/adb9ad","DOIUrl":"https://doi.org/10.1088/1361-648X/adb9ad","url":null,"abstract":"Over the past decade, perovskite solar cells have experienced a rapid development. The remarkable increase in the photoelectric conversion efficiency demonstrates great promise of halide perovskites in the field of photovoltaics. Despite the excellent photovoltaic performance, further efforts are needed to enhance efficiency and stability. Interfacial engineering plays a crucial role in enhancing the efficiency and stability of perovskite solar cells, enabling champion cells to sustain a power conversion efficiency above 26% for over 1000 hours. As a powerful theoretical tool for characterizing interfaces in perovskite solar cells, first-principles calculations have contributed to understanding interfacial properties and guiding the materials design. In this Perspective, we highlight the recent progress in theoretically profiling the interfaces between halide perovskites and other materials, focusing on the effects of energy band alignment and electronic structure on the carrier transport at the interfaces. These first-principles calculations help to reveal the atomic and electronic properties of the interfaces, and to provide important theoretical guidance for experimental research and device optimization. We also analyze potential strategies to enhance carrier separation and transport in perovskite solar cells, and discuss the challenges in accurate modeling interfaces in perovskite solar cells, which will help to understand the fundamental physics of interfaces in perovskite solar cells and to guide their further optimization.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143492500","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Role of anisotropic confining potential and elliptical driving in dynamics of a Ge hole qubit.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-21 DOI: 10.1088/1361-648X/adb927

Bashab Dey, John Schliemann

{"title":"Role of anisotropic confining potential and elliptical driving in dynamics of a Ge hole qubit.","authors":"Bashab Dey, John Schliemann","doi":"10.1088/1361-648X/adb927","DOIUrl":"https://doi.org/10.1088/1361-648X/adb927","url":null,"abstract":"The squeezing of a Ge planar quantum dot enhances the Rabi frequency of electric dipole spinresonance by several orders of magnitude due to a strong Direct Rashba spin-orbit interaction (DR-SOI) in such geometries [Phys. Rev. B 104, 115425 (2021)]. We investigate the geometric effectof an elliptical (squeezed) confinement and its interplay with the polarization of driving field indetermining the Rabi frequency of a heavy-hole qubit in a planar Ge quantum dot. To calculatethe Rabi frequency, we consider only the p-linear SOIs viz. electron-like Rashba, hole-like Rashbaand hole-like Dresselhaus which are claimed to be the dominant ones by recent studies on planarGe heterostructures. We derive approximate analytical expressions of the Rabi frequency using aSchrieffer-Wolff transformation for small SOI and driving strengths. Firstly, for an out-of-planemagnetic field with magnitude B, we get an operating region with respect to B, squeezing andpolarization parameters where the qubit can be operated to obtain 'clean' Rabi flips. On andclose to the boundaries of the region, the higher orbital levels strongly interfere with the two-levelqubit subspace and destroy the Rabi oscillations, thereby putting a limitation on squeezing of theconfinement. The Rabi frequency shows different behaviour for electron-like and hole-like RashbaSOIs. It vanishes for right (left) circular polarization in presence of purely electron-like (hole-like) Rashba SOI in a circular confinement. For both in- and out-of-plane magnetic fields, higherRabi frequencies are achieved for squeezed configurations when the ellipses of polarization and theconfinement equipotential have their major axes aligned but with different eccentricities. We alsodeduce a simple formula to calculate the effective heavy hole mass by measuring the Rabi frequenciesusing this setup.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143472501","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effect of varying laser energy density at LaScO3/SrTiO3 interface. 不同激光能量密度对 LaScO3/SrTiO3 界面的影响。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-21 DOI: 10.1088/1361-648X/adb922

Simran Nehra, Shikha Shrivastava, Sunil Gangwar, Pooja Manral, C S Yadav, V K Malik, Anjana Dogra

引用次数: 0

Photoemission spectroscopy and {it ab-initio} simulation of CrFeVGa and CoFeVSb : A Comparative Study.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-21 DOI: 10.1088/1361-648X/adb925

Jadupati Nag, Kritika Vijay, Barnabha Bandyopadhyay, Soma Banik, Aftab Alam, K G Suresh

{"title":"Photoemission spectroscopy and {it ab-initio} simulation of CrFeVGa and CoFeVSb : A Comparative Study.","authors":"Jadupati Nag, Kritika Vijay, Barnabha Bandyopadhyay, Soma Banik, Aftab Alam, K G Suresh","doi":"10.1088/1361-648X/adb925","DOIUrl":"https://doi.org/10.1088/1361-648X/adb925","url":null,"abstract":"We present a comprehensive photoemission study of two Vanadium-based quaternary Heusler alloys, CrFeVGa and CoFeVSb, which are highly promising candidates for spintronics and topological quantum applications. CrFeVGa exhibits large anomalous Hall conductivity due to the large Berry curvature originating from its non-trivial topological bands. In contrast, CoFeVSb displays a spin-valve-like behavior alongside excellent thermoelectric properties, such as ultra-low thermal conductivity and high power factor at room temperature. By utilizing synchrotron X-ray photoemission spectroscopy (XPS) and resonant photoemission spectroscopy, we have investigated the core levels and valence band of both the alloys. Our analysis shows that the V 3textit{d} states are primarily responsible for the electronic states at the Fermi level which result in the high spin polarization, consistent with our theoretical predictions. The presence of the Fermi edge in the valence band spectra in both the systems confirms the predicted metallic or half/semi-metallic features. The observed spectra match qualitatively with our simulated partial density of states. A close inspection of the temperature dependent valence band spectra indicates that some of the intriguing bulk properties reported earlier on these two systems are intimately connected with their unique band structure topology. This in turn facilitate a deeper insight into the origin of such interesting properties of these alloys. Such direct measurements of electronic structure provide a guiding platform towards a better understanding of the anomalous properties of any material in general.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143472499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Magnetodielectric Properties in Two Dimensional Magnetic Insulators.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-21 DOI: 10.1088/1361-648X/adb923

Koushik Dey, Hasina Khatun, Anudeepa Ghosh, Soumik Das, Bikash Das, Subhadeep Datta

{"title":"Magnetodielectric Properties in Two Dimensional Magnetic Insulators.","authors":"Koushik Dey, Hasina Khatun, Anudeepa Ghosh, Soumik Das, Bikash Das, Subhadeep Datta","doi":"10.1088/1361-648X/adb923","DOIUrl":"https://doi.org/10.1088/1361-648X/adb923","url":null,"abstract":"Magnetodielectric (MD) materials are important for their ability to spin-charge conversion, magnetic field control of electric polarization and vice versa. Among these, two-dimensional (2D) van der Waals (vdW) magnetic materials are of particular interest due to the presence of magnetic anisotropy (MA) originating from the interaction between the magnetic moments and the crystal field. Also, these materials indicate a high degree of stability in the long-range spin order and may be described using suitable spin Hamiltonians of the Heisenberg, XY, or Ising type. Recent reports have suggested effective interactions between magnetization and electric polarization in 2D magnets. However, MD coupling studies on layered magnetic materials are still few. This review covers the fundamentals of magnetodielectric coupling by explaining related key terms. It includes the necessary conditions for having this coupling and sheds light on the possible physical mechanisms behind this coupling starting from phenomenological descriptions. Apart from that, this review classifies 2D magnetic materials into several categories for reaching out each and every class of materials. Additionally, this review summarizes recent advancements of some pioneer 2D magnetodielectric materials. Last but not the least, the current review provides possible research directions for enhancing magnetodielectric coupling in those and mentions the possibilities for future developments.&#xD.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143472497","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0