Journal of Physics: Condensed Matter最新文献_第7页

Field-free Josephson diode effect in interacting chiral quantum dot junctions. 手性量子点结中的无场约瑟夫森二极管效应。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-21 DOI: 10.1088/1361-648X/adbeaf

Debika Debnath, Paramita Dutta

引用次数: 0

Topologically protected magnetic structures in perforated multilayer films. 多孔多层膜中拓扑保护的磁性结构。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-20 DOI: 10.1088/1361-648X/adbcef

Magadeev Eugene Borisovich, Ratmir Rimovich Nugumanov, Sharafullin Ildus Fanisovich

引用次数: 0

Structural chirality and related properties in periodic inorganic solids: review and perspectives. 周期性无机固体的结构手性及其相关性质：综述与展望。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-18 DOI: 10.1088/1361-648X/adb674

Eric Bousquet, Mauro Fava, Zachary Romestan, Fernando Gómez-Ortiz, Emma E McCabe, Aldo H Romero

{"title":"Structural chirality and related properties in periodic inorganic solids: review and perspectives.","authors":"Eric Bousquet, Mauro Fava, Zachary Romestan, Fernando Gómez-Ortiz, Emma E McCabe, Aldo H Romero","doi":"10.1088/1361-648X/adb674","DOIUrl":"10.1088/1361-648X/adb674","url":null,"abstract":"Chirality refers to the asymmetry of objects that cannot be superimposed on their mirror image. It is a concept that exists in various scientific fields and has profound consequences. Although these are perhaps most widely recognized within biology, chemistry, and pharmacology, recent advances in chiral phonons, topological systems, crystal enantiomorphic materials, and magneto-chiral materials have brought this topic to the forefront of condensed matter physics research. Our review discusses the symmetry requirements and the features associated with structural chirality in inorganic materials. This allows us to explore the nature of phase transitions in these systems, the coupling between order parameters, and their impact on the material's physical properties. We highlight essential contributions to the field, particularly recent progress in the study of chiral phonons, altermagnetism, magnetochirality between others. Despite the rarity of naturally occurring inorganic chiral crystals, this review also highlights a significant knowledge gap, presenting challenges and opportunities for structural chirality mostly at the fundamental level, e.g. chiral displacive phase transitions, possibilities of tuning and switching structural chirality by external means (electric, magnetic, or strain fields), whether chirality could be an independent order parameter, and whether structural chirality could be quantified, etc. Beyond simply summarizing this field of research, this review aims to inspire further research in materials science by addressing future challenges, encouraging the exploration of chirality beyond traditional boundaries, and seeking the development of innovative materials with superior or new properties.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143425542","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

Structural and electronic properties of bulk Li₂O₂: first-principles simulations based on numerical atomic orbitals. 大块Li2O2的结构和电子性质：基于数值原子轨道的第一性原理模拟。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-14 DOI: 10.1088/1361-648X/adbaa6

Paul M Masanja, Toraya Fernández-Ruiz, Esther J Tarimo, Nayara Carral-Sainz, P V Kanaka Rao, Vijay Singh, Bernard Mwankemwa, Juan María García-Lastra, Pablo García-Fernández, Javier Junquera

{"title":"Structural and electronic properties of bulk Li2O2: first-principles simulations based on numerical atomic orbitals.","authors":"Paul M Masanja, Toraya Fernández-Ruiz, Esther J Tarimo, Nayara Carral-Sainz, P V Kanaka Rao, Vijay Singh, Bernard Mwankemwa, Juan María García-Lastra, Pablo García-Fernández, Javier Junquera","doi":"10.1088/1361-648X/adbaa6","DOIUrl":"10.1088/1361-648X/adbaa6","url":null,"abstract":"The development of advanced materials with high specific energy is crucial for enabling sustainable energy storage solutions, particularly in applications such as lithium-air batteries. Lithium peroxide (Li2O2) is a key discharge product in non-aqueous lithium-air systems, where its structural and electronic properties significantly influence battery performance. In this work, we investigate the atomic structure, electronic band structure, and Wannier functions of bulk Li2O2using density functional theory. The performance of different basis sets of numerical atomic orbitals is compared with respect to converged plane-wave basis results. We analyse the material's ionic characteristics, the formation of molecular orbitals in oxygen dimers, and the band gap discrepancies between various computational approaches. Furthermore, we develop a localized Wannier basis to model electron-vibration interactions and explore their implications for polaron formation. Our findings provide a chemically intuitive framework for understanding electron-lattice coupling and offer a basis for constructing reduced models that accurately describe the dynamics of polarons in Li2O2. These insights contribute to the broader goal of improving energy storage technologies and advancing the field of materials design.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143515787","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

The anomalous temperature dependent low energy electron diffraction intensity at epitaxial Sr₃Ir₂O₇thin film surfaces. 外延sr3ir2o7薄膜表面低能电子衍射强度的反常温度依赖性。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-14 DOI: 10.1088/1361-648X/adbaa8

Peace Ikeoluwa Adegbite, Arjun Subedi, Yuanyuan Zhang, Xia Hong, Takashi Komesu, P A Dowben

{"title":"The anomalous temperature dependent low energy electron diffraction intensity at epitaxial Sr3Ir2O7thin film surfaces.","authors":"Peace Ikeoluwa Adegbite, Arjun Subedi, Yuanyuan Zhang, Xia Hong, Takashi Komesu, P A Dowben","doi":"10.1088/1361-648X/adbaa8","DOIUrl":"10.1088/1361-648X/adbaa8","url":null,"abstract":"We report on the temperature dependent low energy electron diffraction (LEED) studies of 12 nm epitaxial Sr3Ir2O7(001) thin films. The Debye temperature has been extracted from the temperature-dependence of LEED intensity at elevated temperatures and different electron kinetic energies. For the most surface sensitive LEED, obtained at the lowest electron kinetic energies, the extracted surface Debye temperature is 270 ± 22 K, which is much lower than the 488 ± 40 K Debye temperature obtained using higher electron kinetic energies. Surprisingly, the LEED diffraction intensity, at the lowest electron kinetic energies, increases rather than decreases, with increasing sample temperatures up to about 440 K. This anomalous behavior has been attributed to the reduction of the lattice vibrational amplitudes along the surface normal. This damping of the normal mode vibrations with increasing temperature results from the enhanced electronic screening via thermally activated carriers. This scenario is corroborated by the transport measurement, showing that Sr3Ir2O7is a narrow band Mott insulator with a band gap of about 32 meV. We have identified criteria for finding anomalous scattering behavior in other transition metal oxide systems.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143515789","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

Multi-cation synergy improves crystallization and antioxidation of CsSnBr₃for lead-free perovskite light-emitting diodes. 多阳离子协同作用提高了无铅钙钛矿发光二极管cssnbr3的结晶性能和抗氧化性能。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-14 DOI: 10.1088/1361-648X/adb823

Jie Wang, Dongyuan Han, Huiyu Ji, Ziang Zang, Jianheng Zhou, Ning Wang

{"title":"Multi-cation synergy improves crystallization and antioxidation of CsSnBr3for lead-free perovskite light-emitting diodes.","authors":"Jie Wang, Dongyuan Han, Huiyu Ji, Ziang Zang, Jianheng Zhou, Ning Wang","doi":"10.1088/1361-648X/adb823","DOIUrl":"10.1088/1361-648X/adb823","url":null,"abstract":"Tin (Sn) perovskites have emerged as promising alternatives to address the toxicity concerns associated with lead-based (Pb) perovskite light-emitting diodes (PeLEDs). However, the inherent oxidation of Sn perovskite films leads to a serious efficiency roll-off in PeLEDs at increased current densities. Although three-dimensional CsSnBr3perovskites exhibit decent carrier mobilities and thermal stability, their rapid crystallization during solution processing results in inadequate surface coverage. This inadequate coverage increases non-radiative recombination and leakage current, thereby hindering Sn PeLED performance. Herein, we present a multi-cation synergistic strategy by introducing the organic cations formamidinium (FA+) and thiophene ethylamine (TEA+) into CsSnBr3perovskites. The addition of organic cations delays crystallization by forming hydrogen bonds interacting with the CsSnBr3. The smaller FA+enters the perovskite lattice and improves crystallinity, while the larger TEA+cation enhances surface coverage and passivates defect states. By further optimizing the interface between PEDOT:PSS and perovskite layers through the use of ethanolamine and a thin layer of LiF, we achieved a red Sn-based PeLED with an emission wavelength of 670 nm, a maximum luminance of 151 cd m-2, and an external quantum efficiency of 0.21%.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143458407","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

Hybrid halide perovskite quantum dots for optoelectronics applications: recent progress and perspective. 用于光电应用的混合卤化物包晶量子点：最新进展与展望。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-14 DOI: 10.1088/1361-648X/adbb47

Atif Suhail, Shivang Beniwal, Ramesh Kumar, Anjali Kumar, Monojit Bag

{"title":"Hybrid halide perovskite quantum dots for optoelectronics applications: recent progress and perspective.","authors":"Atif Suhail, Shivang Beniwal, Ramesh Kumar, Anjali Kumar, Monojit Bag","doi":"10.1088/1361-648X/adbb47","DOIUrl":"10.1088/1361-648X/adbb47","url":null,"abstract":"Nanotechnology has transformed optoelectronics through quantum dots (QDs), particularly metal halide perovskite QDs (PQDs). PQDs boast high photoluminescent quantum yield, tunable emission, and excellent defect tolerance without extensive passivation. Quantum confinement effects, which refer to the phenomenon where the motion of charge carriers is restricted to a small region, produce discrete energy levels and blue shifts in these materials. They are ideal for next-generation optoelectronic devices prized for superior optical properties, low cost, and straightforward synthesis. In this review, along with the fundamental physics behind the phenomenon, we have covered advances in synthesis methods such as hot injection, ligand-assisted reprecipitation, ultrasonication, solvothermal, and microwave-assisted that enable precise control over size, shape, and stability, enhancing their suitability for LEDs, lasers, and photodetectors. Challenges include lead toxicity and cost, necessitating research into alternative materials and scalable manufacturing. Furthermore, strategies like doping and surface passivation that improve stability and emission control are discussed comprehensively, and how lead halide perovskites like CsPbBr3undergo phase transitions with temperature, impacting device performance, are also investigated. We have explored various characterization techniques, providing insights into nanocrystal properties and behaviors in our study. This review highlights PQDs' synthesis, physical and optoelectronic properties, and potential applications across diverse technologies.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143523705","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

Photo-modulated magnetoresistance in a ferromagnetic/normal/ferromagnetic tunnel junction based on monolayer black phosphorene. 基于单层黑磷烯的亚铁/正常/铁磁隧道结的光调制磁电阻。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-14 DOI: 10.1088/1361-648X/adbba7

Yun Li, Dali Wang, Guojun Jin

{"title":"Photo-modulated magnetoresistance in a ferromagnetic/normal/ferromagnetic tunnel junction based on monolayer black phosphorene.","authors":"Yun Li, Dali Wang, Guojun Jin","doi":"10.1088/1361-648X/adbba7","DOIUrl":"10.1088/1361-648X/adbba7","url":null,"abstract":"We use the Floquet theory and the Landauer-Büttiker formula to investigate the transport characteristics of a ferromagnetic/normal/ferromagnetic tunnel junction based on monolayer black phosphorene under an off-resonant circularly polarized light (CPL). The results show that the CPL can control the transmission spectrum. In fact, the transmission gap of the antiparallel magnetized configuration is significantly broadened, and the electron blocking effect is enhanced. The transmission of the parallel magnetized configuration shows significant anisotropy and strong wave vector filtering effect. We also demonstrate that the CPL enhances the difference between the conductance of the parallel and antiparallel magnetized configurations, which in turn leads to a significant increase in tunneling magnetoresistance (TMR), even reaching TMR = 1. In particular, under the combined action of polarized light and gate voltage, the TMR in the conduction band region increases, while the TMR in the valence band region decreases. Our results will contribute to the development of optically controllable TMR devices.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143531549","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. 二维磁性绝缘体的磁介电特性。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-14 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":"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 MD coupling by explaining related key terms. It includes the necessary conditions for having this coupling and sheds light on the possible microscopic 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 MD materials. Last but not the least, the current review provides possible research directions for enhancing MD coupling in those and mentions the possibilities for future developments.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-14","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

Quantitative evaluation of nuclear quantum effects on the phase transitions in BaTiO₃using large-scale molecular dynamics simulations based on machine learning potentials. 基于机器学习势的大规模分子动力学模拟定量评价BaTiO3中核量子效应对相变的影响。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-03-14 DOI: 10.1088/1361-648X/adbb9c

Kansei Kanayama, Kazuaki Toyoura

{"title":"Quantitative evaluation of nuclear quantum effects on the phase transitions in BaTiO3using large-scale molecular dynamics simulations based on machine learning potentials.","authors":"Kansei Kanayama, Kazuaki Toyoura","doi":"10.1088/1361-648X/adbb9c","DOIUrl":"10.1088/1361-648X/adbb9c","url":null,"abstract":"The machine learning potential (MLP) based molecular dynamics (MD) method (MLPMD) was applied for constructing the pressure-temperature phase diagram in the barium titanate (BaTiO3) crystals. The nuclear quantum effects (NQEs) on the phase transitions were quantitatively evaluated from the difference in the phase transition pressures between the NQEs-incorporated and classical simulations. In this study, the quantum thermal bath (QTB) method was used for incorporating the NQEs. The constructed phase diagrams verified that the NQEs lower the phase transition temperatures and pressures. The NQEs are more significant at lower temperatures but cannot be ignored even at room temperature. The phase diagram in the QTB-based MLPMD is in good agreement with those of the previous studies based on dielectric measurements and path-integral based simulations. The displacement distributions of Ti and O ions in the QTB-MLPMD suggest that the pressure-induced tetragonal-cubic phase transition is the displacive type, in contrast to the order-disorder type reported in the literature. Possible reasons for the discrepancy in the microscopic behavior are the differences in the simulation cell size and restriction for lattice dynamics. In contrast to the relatively small simulation cell (12 × 12 × 12 supercell or smaller) with some restriction to the degrees of freedom (DOFs) for lattice dynamics in the previous studies, the large cell (20 × 20 × 20 supercell) without any DOF restriction was employed in the present study.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143531550","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