Journal of Physics: Condensed Matter最新文献_第4页

Manipulating Floquet-driven topological insulator with off-resonant elliptically polarized light in presence of hexagonal Fermi surface warping.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2024-12-11 DOI: 10.1088/1361-648X/ad98db

Neetu Agrawal

引用次数: 0

Solution grown quantum dots for quantum science.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2024-12-11 DOI: 10.1088/1361-648X/ad9da5

Parna Roy, Parineeta Gogoi, Anshu Pandey

引用次数: 0

Influence of band occupation on electron-phonon coupling in gold.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2024-12-11 DOI: 10.1088/1361-648X/ad9da7

Tobias Held, Sebastian T Weber, Baerbel Rethfeld

引用次数: 0

Spin polarisation and non-isotropic effective mass in the conduction band of GdN.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2024-12-10 DOI: 10.1088/1361-648X/ad98dd

W F Holmes-Hewett, E X M Trewick, H J Trodahl, R G Buckley, B J Ruck

引用次数: 0

Influence of Sn²⁺doping to improve the charge transport and light-emitting properties of CsPbCl₃perovskites.

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2024-12-10 DOI: 10.1088/1361-648X/ad98dc

Deenbandhu Sharma, S K Sharma

引用次数: 0

Engineering the band structure of type-II MoSe₂/WSe₂van der Waals heterostructure by electric field and twist angle: a first principles perspective. 通过电场和扭转角对 II 型 MoSe2/WSe2 范德瓦尔斯异质结构的能带结构进行工程化：第一原理视角。

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2024-12-09 DOI: 10.1088/1361-648X/ad9806

Fangqi Yu, Weihua Yang, Jun Kang, Rao Huang, Lei Li, Yuhua Wen

{"title":"Engineering the band structure of type-II MoSe2/WSe2van der Waals heterostructure by electric field and twist angle: a first principles perspective.","authors":"Fangqi Yu, Weihua Yang, Jun Kang, Rao Huang, Lei Li, Yuhua Wen","doi":"10.1088/1361-648X/ad9806","DOIUrl":"10.1088/1361-648X/ad9806","url":null,"abstract":"Type-II heterostructures composed of transition-metal dichalcogenides have attracted enormous attention due to their facilitation in efficient electron-hole separation. In this work, we performed density-functional theory calculations to systematically investigate the atomic and electronic structures of MoSe2/WSe2van der Waals heterostructure. Its six high-symmetry configurations with different interlayer coupling under external electric field and twist angle were addressed. Our results reveal that all the configurations exhibit type-II band alignment and their band gaps can be effectively modulated by the electric field. Notably, the direct to indirect band gap transition only occurs in the configurations with strong interlayer coupling. Moreover, twist-induced symmetry breaking weakens the interlayer interactions, thus decreasing interlayer charge transfer. Owing to large interlayer distance and weak interlayer coupling, the band structure of the heterostructure remained unchanged for the twist angles ranging from 13.2° to 46.8°. These findings demonstrate the great potential of the MoSe2/WSe2heterostructure for applications in optoelectronic and nanoelectronic devices.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142739795","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

Generalized representative structures for atomistic systems. 原子系统的广义代表结构

IF 2.3 4区物理与天体物理

Journal of Physics: Condensed Matter Pub Date : 2024-12-09 DOI: 10.1088/1361-648X/ad9791

James M Goff, Coreen Mullen, Shizhong Yang, Oleg N Starovoytov, Mitchell A Wood

{"title":"Generalized representative structures for atomistic systems.","authors":"James M Goff, Coreen Mullen, Shizhong Yang, Oleg N Starovoytov, Mitchell A Wood","doi":"10.1088/1361-648X/ad9791","DOIUrl":"10.1088/1361-648X/ad9791","url":null,"abstract":"A new method is presented to generate atomic structures that reproduce the essential characteristics of arbitrary material systems, phases, or ensembles. Previous methods allow one to reproduce the essential characteristics (e.g. the chemical disorder) of a large random alloy within a small crystal structure. The ability to generate small representations of random alloys, along with the restriction to crystal systems, results from using the fixed-lattice cluster correlations to describe structural characteristics. A more general description of the structural characteristics of atomic systems is obtained using complete sets of atomic environment descriptors. These are used within for generating representative atomic structures without restriction to fixed lattices. A general data-driven approach is provided here utilizing the atomic cluster expansion (ACE) basis. TheN-body ACE descriptors are a complete set of atomic environment descriptors that span both chemical and spatial degrees of freedom and are used within for describing atomic structures. The generalized representative structure (GRS) method presented within generates small atomic structures that reproduce ACE descriptor distributions corresponding to arbitrary structural and chemical complexity. It is shown that systematically improvable representations of crystalline systems on fixed parent lattices, amorphous materials, liquids, and ensembles of atomic structures may be produced efficiently through optimization algorithms. With the GRS method, we highlight reduced representations of atomistic machine-learning training datasets that contain similar amounts of information and small 40-72 atom representations of liquid phases. The ability to use GRS methodology as a driver for informed novel structure generation is also demonstrated. The advantages over other data-driven methods and state-of-the-art methods restricted to high-symmetry systems are highlighted.","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142729206","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

Lattice reconstruction in twisted bilayer graphene.

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/ad987d

Zhongqiu Fu, Xiaofeng Zhou, Lin He

引用次数: 0

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":"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.","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":"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.","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