We study to what extent dielectric nanoparticles prefer to self-assemble into linear chains or into more compact structures. To calculate the Van der Waals (VdW) attraction between the clusters we use the Coupled Dipole Method (CDM), which treats each atom in the nanoparticle as an inducible oscillating point dipole. The VdW attraction then results from the full many-body interactions between the dipoles. For non-capped nanoparticles, we calculate in which configuration the VdW attraction is maximal. We find that in virtually all cases we studied, many-body effects only result in local potential minima at the linear configuration, as opposed to global ones, and that these metastable minima are in most cases rather shallow compared to the thermal energy. In this work, we also compare the CDM results with those from Hamaker-de Boer and Axilrod-Teller theory to investigate the influence of the many-body effects and the accuracy of these two approximate methods.
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http://dx.doi.org/10.1063/1.4792137 | DOI Listing |
Adv Mater
January 2025
Faculty of Science and Engineering, Aoyama Gakuin University, 5-10-1 Fuchinobe, Sagamihara, Kanagawa, 252-5258, Japan.
Twistronics, a novel engineering approach involving the alignment of van der Waals (vdW) integrated two-dimensional materials at specific angles, has recently attracted significant attention. Novel nontrivial phenomena have been demonstrated in twisted vdW junctions (the so-called magic angle), such as unconventional superconductivity, topological phases, and magnetism. However, there have been only few reports on integrated vdW layers with large twist angles θ, such as twisted interfacial Josephson junctions using high-temperature superconductors.
View Article and Find Full Text PDFPhys Chem Chem Phys
December 2024
State Key Laboratory of Advanced Design and Manufacturing Technology for Vehicle, College of Mechanical and Vehicle Engineering, Hunan University, Changsha 410082, P. R. China.
Vertically stacked van der Waals (vdW) heterostructures not only provide a promising platform in terms of band alignment, but also constitute fertile ground for fundamental science and attract tremendous practical interest towards their use in various device applications. Beyond most two-dimensional (2D) materials, which are intrinsically non-magnetic, CrI is a novel material with magnetism dependent on its vdW-bonded layers, promising potential spintronics applications. However, for particular device applications, a heterostructure is commonly fabricated and it is necessary to examine the effect of the interface or contact atoms on the magnetic properties of the heterostructure.
View Article and Find Full Text PDFPhys Chem Chem Phys
December 2024
College of Rare Earths and Faculty of Materials, Metallurgy and Chemistry, Jiangxi University of Science and Technology, Ganzhou, 341000, China.
Bismuth oxychalcogenides (BiOX, X = S, Se, Te), a family of non-van der Waals (non-vdW) two-dimensional (2D) semiconductors, are attracting significant attention due to their outstanding semiconducting properties and huge potential in various applications of electronic and optoelectronic devices. Surface imperfections (, surface vacancies) and surface reconstructions are more likely to appear and may cause intriguing physical properties and novel phenomena in the non-vdW 2D materials than the vdW cases. Here, we explore the impacts of surface vacancies and surface reconstructions on the properties of the surfaces and 2D structures of BiOX by using the first-principles method.
View Article and Find Full Text PDFJ Phys Condens Matter
December 2024
Center for Advanced Quantum Studies, Department of Physics, Beijing Normal University, Beijing 100875, People's Republic of China.
Twisted bilayer graphene (TBG) provides a tunable platform to study emergent properties that are absent in single-layer graphene by the van der Waals (vdW) interlayer interaction. The vdW interlayer interaction can also lead to notable lattice reconstruction at the interface, promoting interlayer commensurability while minimizing intralayer lattice distortion. The lattice reconstruction in TBG is a pivotal phenomenon that significantly influences the optical and electronic properties.
View Article and Find Full Text PDFAcc Chem Res
December 2024
Key Laboratory of Quantum Materials and Devices of Ministry of Education, School of Physics, Southeast University, Nanjing 211189, China.
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