Journal of Physics: Condensed Matter最新文献

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The Fock-space landscape of many-body localisation. 多体定位的福克空间景观。
IF 2.3 4区 物理与天体物理
Journal of Physics: Condensed Matter Pub Date : 2024-12-06 DOI: 10.1088/1361-648X/ad94c3
Sthitadhi Roy, David E Logan
{"title":"The Fock-space landscape of many-body localisation.","authors":"Sthitadhi Roy, David E Logan","doi":"10.1088/1361-648X/ad94c3","DOIUrl":"10.1088/1361-648X/ad94c3","url":null,"abstract":"<p><p>This article reviews recent progress in understanding the physics of many-body localisation (MBL) in disordered and interacting quantum many-body systems, from the perspective of ergodicity breaking on the associated Fock space. This approach to MBL is underpinned by mapping the dynamics of the many-body system onto that of a fictitious single particle on the high-dimensional, correlated and disordered Fock-space graph; yet, as we elaborate, the problem is fundamentally different from that of conventional Anderson localisation on high-dimensional or hierarchical graphs. We discuss in detail the nature of eigenstate correlations on the Fock space, both static and dynamic, and in the ergodic and many-body localised phases as well as in the vicinity of the MBL transition. The latter in turn sheds light on the nature of the transition, and motivates a scaling theory for it in terms of Fock-space based quantities. We also illustrate how these quantities can be concretely connected to real-space observables. An overview is given of several analytical and numerical techniques which have proven important in developing a comprehensive picture. Finally, we comment on some open questions in the field of MBL where the Fock-space approach is likely to prove insightful.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142682057","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
Introduction to machine learning potentials for atomistic simulations. 原子模拟的机器学习潜力介绍。
IF 2.3 4区 物理与天体物理
Journal of Physics: Condensed Matter Pub Date : 2024-12-06 DOI: 10.1088/1361-648X/ad9657
Fabian L Thiemann, Niamh O'Neill, Venkat Kapil, Angelos Michaelides, Christoph Schran
{"title":"Introduction to machine learning potentials for atomistic simulations.","authors":"Fabian L Thiemann, Niamh O'Neill, Venkat Kapil, Angelos Michaelides, Christoph Schran","doi":"10.1088/1361-648X/ad9657","DOIUrl":"10.1088/1361-648X/ad9657","url":null,"abstract":"<p><p>Machine learning potentials have revolutionised the field of atomistic simulations in recent years and are becoming a mainstay in the toolbox of computational scientists. This paper aims to provide an overview and introduction into machine learning potentials and their practical application to scientific problems. We provide a systematic guide for developing machine learning potentials, reviewing chemical descriptors, regression models, data generation and validation approaches. We begin with an emphasis on the earlier generation of models, such as high-dimensional neural network potentials and Gaussian approximation potentials, to provide historical perspective and guide the reader towards the understanding of recent developments, which are discussed in detail thereafter. Furthermore, we refer to relevant expert reviews, open-source software, and practical examples-further lowering the barrier to exploring these methods. The paper ends with selected showcase examples, highlighting the capabilities of machine learning potentials and how they can be applied to push the boundaries in atomistic simulations.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142693191","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
Order parameter symmetry in superconducting 2H-TaSeS. 超导 2H-TaSeS 的阶次参数对称性
IF 2.3 4区 物理与天体物理
Journal of Physics: Condensed Matter Pub Date : 2024-12-06 DOI: 10.1088/1361-648X/ad9656
K Yadav, M Lamba, M Singh, M Yadav, A Kumar, S Patnaik
{"title":"Order parameter symmetry in superconducting 2H-TaSeS.","authors":"K Yadav, M Lamba, M Singh, M Yadav, A Kumar, S Patnaik","doi":"10.1088/1361-648X/ad9656","DOIUrl":"10.1088/1361-648X/ad9656","url":null,"abstract":"<p><p>Superconductors based on transition metal dichalcogenides are of substantial current relevance towards the material realization of topological superconductivity. Here, we report a detailed study on the synthesis and characterization of single crystals of 2H-TaSeS. A superconducting transition is confirmed at4.15Kthat coexists with a charge-density wave ordering at66K. The temperature dependence of the RF penetration depth indicates s-wave characteristics in the weak-coupling limit. Moderate electronic anisotropy is observed in the upper critical fields. DFT calculations confirm that the most stable structure belongs to theP63mcspace group. Negative values in the phonon dispersion curves verify the possibility of coexisting superconductivity with a charge-density wave in 2H-TaSeS. We also study vortex dynamics in this novel superconductor. Overall, our analysis suggests that 2H-TaSeS is a conventional Type-II superconductor without any evidence for topological superconductivity.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142693212","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
Interlayer excitons in MoS2/CSiH2/WS2heterostructures: the role of the Janus intermediate layer. MoS2/CSiH2/WS2 异质结构中的层间激子:Janus 中间层的作用。
IF 2.3 4区 物理与天体物理
Journal of Physics: Condensed Matter Pub Date : 2024-12-06 DOI: 10.1088/1361-648X/ad9724
Zhihui Yan, Shudong Wang
{"title":"Interlayer excitons in MoS<sub>2</sub>/CSiH<sub>2</sub>/WS<sub>2</sub>heterostructures: the role of the Janus intermediate layer.","authors":"Zhihui Yan, Shudong Wang","doi":"10.1088/1361-648X/ad9724","DOIUrl":"10.1088/1361-648X/ad9724","url":null,"abstract":"<p><p>The introduction of intermediate hexagonal boron nitride (hBN) between the bilayer transition metal dichalcogenide (TMD) heterostructures has been considered an efficient approach to manipulate the interlayer excitations. However, the hBN intercalation primarily serves as a spacer to increase the interlayer distance and alter the screening, without producing a significant band offset shift. Here, we use Janus monolayer CSiH<sub>2</sub>, possessing a prominent out-of-plane intrinsic dipole moment and large enough band gap, as an intercalation to build trilayer MoS<sub>2</sub>/CSiH<sub>2</sub>/WS<sub>2</sub>heterostructures. Our calculated results by means of many-body perturbation theory reveal that the band alignment characteristics and the band gaps are dramatically altered in the presence of the CSiH<sub>2</sub>monolayer, due to the large potential drop across the interface of bilayer TMDs. By solving the Bethe-Salpeter equation, we observe the static dipole moment of the interlayer excitons (IXs) can be reversed through tuning the stacking sequence of CSiH<sub>2</sub>. More importantly, the radiative lifetime of IX has been substantially prolonged in MoS<sub>2</sub>/CSiH<sub>2</sub>/WS<sub>2</sub>, several orders of magnitude longer than that of bilayer MoS<sub>2</sub>/WS<sub>2</sub>, and varies between 10<sup>-9</sup>-10<sup>-5</sup>s at 0 K with different stacking sequence of CSiH<sub>2</sub>. Our explorations open the feasibility of simultaneously engineering the band alignment and the dipole moment of the dipolar IXs in TMD van der Waals heterostructures, through the introduction of Janus intercalation.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142716585","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
Ultrafast optical induction of magnetic order at a quantum critical point. 量子临界点的超快磁序光学感应。
IF 2.3 4区 物理与天体物理
Journal of Physics: Condensed Matter Pub Date : 2024-12-06 DOI: 10.1088/1361-648X/ad9659
Benedikt Fauseweh, Jian-Xin Zhu
{"title":"Ultrafast optical induction of magnetic order at a quantum critical point.","authors":"Benedikt Fauseweh, Jian-Xin Zhu","doi":"10.1088/1361-648X/ad9659","DOIUrl":"10.1088/1361-648X/ad9659","url":null,"abstract":"<p><p>Time-resolved ultrafast spectroscopy has emerged as a promising tool to dynamically induce and manipulate non-trivial electronic states of matter out-of-equilibrium. Here we theoretically investigate light pulse driven dynamics in a Kondo lattice system close to quantum criticality. Based on a time-dependent auxiliary fermion mean-field calculation we show that light can dehybridize the local Kondo screening and induce oscillating magnetic order out of a previously paramagnetic state. Depending on the laser pulse field amplitude and frequency the Kondo singlet can be completely deconfined, inducing a dynamic Lifshitz transition that changes the Fermi surface topology. These phenomena can be identified in harmonic generation and time-resolved angle-resolved photoemission spectroscopy spectra. Our results shed new light on non-equilibrium states in heavy fermion systems.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142693216","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
First principle calculations of structural, electronic, and optical properties of XSnO3(X: Ca, Mg, Sr) perovskite oxides. XSnO3 (X: Ca, Mg, Sr) 包晶氧化物的结构、电子和光学特性的第一性原理计算。
IF 2.3 4区 物理与天体物理
Journal of Physics: Condensed Matter Pub Date : 2024-12-06 DOI: 10.1088/1361-648X/ad9805
Rekia Larbi, Ilhan Candan, Azad Cakmak, Omar Sahnoun, Mohamed Sahnoun
{"title":"First principle calculations of structural, electronic, and optical properties of XSnO<sub>3</sub>(X: Ca, Mg, Sr) perovskite oxides.","authors":"Rekia Larbi, Ilhan Candan, Azad Cakmak, Omar Sahnoun, Mohamed Sahnoun","doi":"10.1088/1361-648X/ad9805","DOIUrl":"10.1088/1361-648X/ad9805","url":null,"abstract":"<p><p>The perovskite oxides XSnO<sub>3</sub>have garnered significant attention due to their potential applications in various fields, including electronics, photonics, and renewable energy technologies. This study presents a comprehensive theoretical investigation of the structural, electronic, and optical properties of XSnO<sub>3</sub>(X: Ca, Mg, Sr) compounds with density functional theory based on the full potential linearized augmented plane wave method. Our analysis begins with thoroughly examining the structural stability and lattice parameters of XSnO<sub>3</sub>compounds, revealing their robust perovskite crystal structures. These compounds' lattice constants, total energy, bulk modulus, and cohesive energy were determined. Subsequently, we delve into the electronic properties of XSnO<sub>3</sub>, elucidating their electronic band structures, density of states, and charge densities. The studied compounds are indirect bandgap semiconductors having band gaps in the visible range. Furthermore, our investigation extends to the optical properties of XSnO<sub>3</sub>, encompassing absorption spectra, refractive indices, energy loss function, reflectivity, extinction coefficient, and dielectric functions across a wide range of wavelengths. Overall, the excellent optical properties of these compounds make them suitable for optoelectronic applications.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142739796","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
Equation of state and universal solid phase of one-dimensional dipolar fluids. 一维二极流体的状态方程和通用固相。
IF 2.3 4区 物理与天体物理
Journal of Physics: Condensed Matter Pub Date : 2024-12-05 DOI: 10.1088/1361-648X/ad942b
Sofiane Meddour, Lila Bouzar, René Messina
{"title":"Equation of state and universal solid phase of one-dimensional dipolar fluids.","authors":"Sofiane Meddour, Lila Bouzar, René Messina","doi":"10.1088/1361-648X/ad942b","DOIUrl":"10.1088/1361-648X/ad942b","url":null,"abstract":"<p><p>Macroscopic and structural properties of one-dimensional (1D) dipolar fluids are investigated theoretically. The equation of state is fully explored by means of analytical limiting laws, integral equations and corroborating Monte Carlo simulations. An interesting mapping with the Tonks gas (i.e. hard rods) is established at strong coupling. Crucially, we report a novel solid phase characterized by a<i>universal algebraic decay</i>of the pair distribution function whose range extends with increasing coupling. This discovery provides a clarified view in 1D systems and open new routes to explore theoretically as well as experimentally.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142667821","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
Floquet analysis on an irradiated nodal surface semimetal with non-symmorphic symmetry. 非对称性辐照结面半金属的浮凸分析
IF 2.3 4区 物理与天体物理
Journal of Physics: Condensed Matter Pub Date : 2024-12-05 DOI: 10.1088/1361-648X/ad9722
Bhaskar Pandit, Satyaki Kar
{"title":"Floquet analysis on an irradiated nodal surface semimetal with non-symmorphic symmetry.","authors":"Bhaskar Pandit, Satyaki Kar","doi":"10.1088/1361-648X/ad9722","DOIUrl":"10.1088/1361-648X/ad9722","url":null,"abstract":"<p><p>A nodal surface semimetal (NSSM) features symmetry enforced band crossings along a surface within the three-dimensional (3D) Brillouin zone (BZ) and a presence of a nonsymmorphic symmetry there pushes such surfaces to stick to the BZ center or boundaries. The topological robustness of the same does not always come with nonzero Berry fluxes. We consider two such NS, one with zero and another with nonzero topological charges and investigate the effect of light irradiation on them. We find that depending on the state of polarization, one can obtain additional Weyl points/NS in the corresponding Floquet Hamiltonians. Particularly, using a simple two band spinless/spin polarized models with no spin orbit coupling, we emphasize the low energy behavior of the continuum Hamiltonians close to the band crossings and its evolution in a Floquet system in the high frequency limit. In the Floquet system, we also find the NS to perish or new multi Weyl points to get popped up for different polarization scenario or different NSSM Hamiltonians. Our findings open up important avenues on what out of equilibrium NSSM systems can offer in many active fields including quantum computations.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142716461","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
Electronic properties of polyaniline-graphene nanocomposites synthesized via solution mixing method. 通过溶液混合法合成的聚苯胺-石墨烯纳米复合材料的电子特性
IF 2.3 4区 物理与天体物理
Journal of Physics: Condensed Matter Pub Date : 2024-12-05 DOI: 10.1088/1361-648X/ad92ec
Soumyasuravi Thakur, Neeraj Rathee, Nirat Ray
{"title":"Electronic properties of polyaniline-graphene nanocomposites synthesized via solution mixing method.","authors":"Soumyasuravi Thakur, Neeraj Rathee, Nirat Ray","doi":"10.1088/1361-648X/ad92ec","DOIUrl":"10.1088/1361-648X/ad92ec","url":null,"abstract":"<p><p>A key advantage of combining the exceptional properties of graphene with conducting polymers, lies in their remarkable property tunability through filler additions into polymer matrices, with synthesis routes playing a crucial role in shaping their characteristics. In this work, we examine the electronic properties of polyaniline and graphene nanocomposites synthesized via a simple solution mixing method, which offers advantages such as ease of use and efficiency. Increasing graphene content enhances nanocomposite conductivity, and a percolation effect is observed. The percolation threshold is high and is consistent with a strong role played by voids in the structure. Temperature-dependent conductivity measurements highlight three distinct conduction regimes: insulating, critical, and metallic. These findings underscore the significant influence of synthesis method and structural disorder on shaping electronic properties, paving the way for engineering multifunctional nanocomposites with exceptional versatility and performance.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142622403","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
Band alignment at InP/TiO2interfaces from density-functional theory. 从密度泛函理论看 InP/TiO2 界面的带排列。
IF 2.3 4区 物理与天体物理
Journal of Physics: Condensed Matter Pub Date : 2024-12-05 DOI: 10.1088/1361-648X/ad9725
Isaac Azahel Ruiz Alvarado, Christian Dreßler, Wolf Gero Schmidt
{"title":"Band alignment at InP/TiO<sub>2</sub>interfaces from density-functional theory.","authors":"Isaac Azahel Ruiz Alvarado, Christian Dreßler, Wolf Gero Schmidt","doi":"10.1088/1361-648X/ad9725","DOIUrl":"10.1088/1361-648X/ad9725","url":null,"abstract":"<p><p>The natural band alignments between indium phosphide and the main dioxides of titanium, i.e. rutile, anatase, and brookite as well as amorphous titania are calculated from the branch-point energies of the respective materials. Irrespective of the titania polymorph considered, type-I band alignment is predicted. This may change, however, in dependence on the microscopic interface structure: supercell calculations for amorphous titania grown on P-rich InP(001) surfaces result in a titania conduction band that nearly aligns with that of InP. Depending on the interface specifics, both type-I band and type-II band alignments are observed in the simulations. This agrees with recent experimental findings.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142716535","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
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