Journal of Physics: Condensed Matter最新文献_第3页

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 : 2025-02-27 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":"https://doi.org/10.1088/1361-648X/adbb47","url":null,"abstract":"Nanotechnology has transformed optoelectronics through quantum dots (QDs), particularly metal halide perovskite QDs. Perovskite QDs boast high photoluminescent quantum yield, tuneable 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 CsPbBr3 undergo 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 perovskite QDs' synthesis, physical and optoelectronic properties, and potential applications across diverse technologies.&#xD.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-27","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

Osmotically-induced rupture of viral capsids.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-27 DOI: 10.1088/1361-648X/adb46f

Felipe Aguiar, Thiago Colla

{"title":"Osmotically-induced rupture of viral capsids.","authors":"Felipe Aguiar, Thiago Colla","doi":"10.1088/1361-648X/adb46f","DOIUrl":"10.1088/1361-648X/adb46f","url":null,"abstract":"A simple model is proposed aimed to investigate how the amount of dissociated ions influences the mechanical stability of viral capsids. After an osmotic and mechanical equilibrium is established with the outer solution, a non-adiabatic change in salt concentration at the external environment is considered, which results in a significant solvent inflow across the capsid surface, eventually leading to its rupture. The key assumption behind such an osmotic shock mechanism is that solvent flow takes place at timescales much shorter than the ones typical of ionic diffusion. In order to theoretically describe this effect, we herein propose a thermodynamic model based on the traditional Flory theory. The proposed approach is further combined with a continuum Hookian elastic model of surface stretching and pore-opening along the lines of a classical nucleation theory, allowing us to establish the conditions under which capsid mechanical instability takes place. Despite its non-local character, the proposed model is able to capture most of the relevant physical mechanisms controlling capsid stability, namely the volume exclusion and entropy of mixing effects among the densely-packed components, the elastic cost for capsid stretching and further pore opening, the Donnan equilibrium across the interface, as well as the large entropy loss resulting from folding the viral genome into close-packed configurations inside the capsid. It is shown that, depending on the particular combination of initial condition and capsid surface strength, the capsid can either become unstable after removal of a prescribed amount of external salt, or be fully stable against osmotic shock, regardless of the amount of ionic dilution.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143391205","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

Large bulk photovoltaic effect and Fermi-surface-mediated enhancement with chemical potential in ZnGeP$_2$.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-27 DOI: 10.1088/1361-648X/adbb48

Banasree Sadhukhan

{"title":"Large bulk photovoltaic effect and Fermi-surface-mediated enhancement with chemical potential in ZnGeP$_2$.","authors":"Banasree Sadhukhan","doi":"10.1088/1361-648X/adbb48","DOIUrl":"https://doi.org/10.1088/1361-648X/adbb48","url":null,"abstract":"Bulk photovoltaic effect is a non-linear response in noncentrosymmetric materials that converts light into DC current. In this work, we investigate the optical linear and non-linear responses in a chalcopyrite semiconductor ZnGeP$_2$. The reference point for chemical potential (E$_f$) appears at the valence band maximum of high symmetry $Gamma$ point in Brillouin zone for ZnGeP$_2$. We report large bulk photovoltaic namely shift and circular photogalvanic current conductivities which are 4.46 $mu$A/V$^2$ and -5.49 $mu$A/V$^2$ respectively with the incident photo energy around $sim$ 5 eV at the chemical potential of E$_f$ = 0 eV which increase about 38% and 81% respectively at a chemical potential of E$_f$ = 1.52 eV. The systematic evolution of the bulk Fermi surface along with the high symmetry points in three dimensional Brillouin zone reveals the enhancement of bulk photovoltaic with the chemical potential in ZnGeP$_2$. We further explore the distribution of bulk projected band and surface Fermi surface distribution in the energy landscape using tight binding Hamiltonian within semi infinite slab geometry. The augmentation of bulk photovoltaic with the chemical potential is due to the projected bulk bands along the high symmetry $Gamma-Z$ direction in Brillouin zone. Our thorough and detailed study not only provide a deeper understanding about the role of Fermi surface contribution to the bulk photovoltaic responses with chemical potential, but also suggest ZnGeP$_2$ as an ideal candidate for optoelectronics and bulk photovoltaic.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143523710","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

Spin-orbit torque in a three-fold-symmetric bilayer and its effect on magnetization dynamics.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-27 DOI: 10.1088/1361-648X/adb192

Wuzhang Fang, Edward Schwartz, Alexey A Kovalev, K D Belashchenko

{"title":"Spin-orbit torque in a three-fold-symmetric bilayer and its effect on magnetization dynamics.","authors":"Wuzhang Fang, Edward Schwartz, Alexey A Kovalev, K D Belashchenko","doi":"10.1088/1361-648X/adb192","DOIUrl":"10.1088/1361-648X/adb192","url":null,"abstract":"Field-free switching of perpendicular magnetization has previously been observed in an epitaxial L11-ordered CoPt/CuPt bilayer and attributed to spin-orbit torque (SOT) arising from the crystallographic 3mpoint group of the interface. Using a first-principles nonequilibrium Green's function formalism combined with the Anderson disorder model, we calculate the angular dependence of the SOT in a CoPt/CuPt bilayer and find that the magnitude of the 3mSOT is about 20% of the conventional dampinglike SOT. We further study the magnetization dynamics in perpendicularly magnetized films in the presence of 3mSOT and Dzyaloshinskii-Moriya interaction, using the equations of motion for domain wall dynamics and micromagnetic simulations. For systems where strong interfacial DMI results in the Néel character of domain walls, we find that a very large current density is required to achieve deterministic switching, because reorientation of the magnetization inside the domain wall is necessary to induce the switching asymmetry. For thicker films with relatively weak interfacial DMI and the Bloch character of domain walls, deterministic switching is possible at much smaller current densities, which may explain the recent experimental findings.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143123099","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

Extended Haldane model- a modern gateway to topological insulators.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2025-02-27 DOI: 10.1088/1361-648X/adb6e9

Tanay Nag, Saptarshi Mandal

引用次数: 0

Structural and electronic properties of bulk Li₂O₂: first-principles simulations based on numerical atomic orbitals.

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/adbaa6

Paul M Masanja, Toraya Fernández-Ruiz, Esther J Tarimo, Nayara Carral-Sainz, Venkata Kanaka Rao Pulapa, Vijay Singh, Bernard Mwankemwa, Juan Maria Garcia 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, Venkata Kanaka Rao Pulapa, Vijay Singh, Bernard Mwankemwa, Juan Maria Garcia Lastra, Pablo García-Fernández, Javier Junquera","doi":"10.1088/1361-648X/adbaa6","DOIUrl":"https://doi.org/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 are compared with respect to a converged plane-wave basis results. We analyze 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":"2025-02-26","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.

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/adbaa8

Peace Ikeoluwa Adegbite, Arjun Subedi, Yuanyuan Zhang, Xia Hong, Takashi Komesu, Peter 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, Peter A Dowben","doi":"10.1088/1361-648X/adbaa8","DOIUrl":"https://doi.org/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 different electron kinetic energies. For the most surface sensitive LEED obtained with lowest electron kinetic energies, for temperatures above 410 K, 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 with lowest electron kinetic energies increase, rather than decrease, with increasing sample temperatures up to about 440 K. This anomalous behavior has been attributed to the reduction of the quasi-harmonic 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 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. The LEED data indicates that the surface symmetry of the epitaxial Sr3Ir2O7(001) thin films is C4v.&#xD.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-26","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

Thermal transformations and dissociations in polycrystalline CO₂hydrates.

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/adbaa7

Xinheng Li, Yongxiao Qu, Yuan Li, Xiaoyu Shi, Kaibin Xiong, Zhisen Zhang, Jianyang Wu

{"title":"Thermal transformations and dissociations in polycrystalline CO2hydrates.","authors":"Xinheng Li, Yongxiao Qu, Yuan Li, Xiaoyu Shi, Kaibin Xiong, Zhisen Zhang, Jianyang Wu","doi":"10.1088/1361-648X/adbaa7","DOIUrl":"https://doi.org/10.1088/1361-648X/adbaa7","url":null,"abstract":"CO2 hydrates show promising application in CO2 sequestration, as well as natural gas recovering from hydrate-bearing sediments, in which the stability of CO2 hydrates plays a vital role in these practical applications. Here, we report the thermal dissociation and cage transformations in polycrystalline CO2 hydrates via molecular dynamics (MD) simulations and machine learning (ML). It is revealed that the melting points of polycrystalline CO2 hydrates (PCO2H) are dictated by the microstructural cages, in which 512, 51262 and 4151063 cages predominate. Upon heating, PCO2H shows reduction trend in the number of clathrate cages, accompanied by large-scale cage reformations via 28 types of reversible/irreversible cage transformations. The cage transformations are achieved via mechanisms of removing, inserting and rotating water molecules, in which water molecules in clathrate cages substantially exchange. Cage transformations involve 512, 51262, 4151063, and 4151062 are pronouncedly frequent, acting as pivotal intermediate pathway in the thermal dissociation of PCO2H. The study provides a clear roadmap on the thermally-induced cage transformations and their mechanisms, and establishes ML frameworks to predict the dissociation behaviors in terms of melting points and melting dynamics.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143515792","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

ℤ2 Topological Phase Transition in Twisted Plumbene.

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/adbaa5

Ayda Gholamhosseinian, Mohsen Modarresi, Mahmood Rezaee Roknabadi, Aybey Mogulkoc

引用次数: 0

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