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Mechanism Behind the Easy Exfoliation of Ga <sub/>2</sub> O <sub/>3</sub> Ultra-Thin Film Along (100) Surface
摘要： The transparent wide band gap semiconductor β-Ga2O3 has gained wide attention due to its suitability to a wide range of applications. Despite not being a van der Waals material and having highly strong ionic bonding, the material can be mechanically cleaved and exfoliated easily along favorable surfaces to make ultra-thin layers and used in device fabrications. One of the interesting properties of this material is that thin layers preserve the pristine bulk-like electronic properties, which makes it even more promising for applications in power devices. However, very little is known about the mechanism why such ultra-thin film or even single bilayer exfoliation is favorable from the bulk. In this letter, we have explained the mechanism of such phenomenon by detailed analyses of different types of Ga–O bonding character. The protocol of methodology used and developed in this study can be utilized in general to understand bond breaking and forming of other complex materials as well. This understanding will give us a better control to fabricate thin film 2D devices.
关键词： density functional theory,bond energy,computational physics,2D Ga2O3,easy exfoliation,surface energy
更新于2025-09-23 15:23:52
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Pattern Recognition Techniques for Boson Sampling Validation
摘要： The difficulty of validating large-scale quantum devices, such as boson samplers, poses a major challenge for any research program that aims to show quantum advantages over classical hardware. Towards this aim, we propose a novel data-driven approach, wherein models are trained to identify common pathologies using unsupervised machine-learning methods. We illustrate this idea by training a classifier that exploits K-means clustering to distinguish between boson samplers that use indistinguishable photons from those that do not. We tune the model on numerical simulations of small-scale boson samplers and then validate the pattern-recognition technique on larger numerical simulations as well as on photonic chips in both traditional boson-sampling and scatter-shot experiments. The effectiveness of such a method relies on particle-type-dependent internal correlations present in the output distributions. This approach performs substantially better on the test data than previous methods and underscores the ability to further generalize its operation beyond the scope of the examples that it was trained on.
关键词： Quantum Information,Computational Physics,Photonics
更新于2025-09-19 17:15:36
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[IEEE 2019 XXIVth International Seminar/Workshop on Direct and Inverse Problems of Electromagnetic and Acoustic Wave Theory (DIPED) - Lviv, Ukraine (2019.9.12-2019.9.14)] 2019 XXIVth International Seminar/Workshop on Direct and Inverse Problems of Electromagnetic and Acoustic Wave Theory (DIPED) - Shelled Plasmonic Nanostructures
摘要： Plasmonic structures attract much interest because they present exotic properties in areas that are much smaller than a wavelength. They are attractive for different applications such as sensors, single molecule detection, near-field microscopy, enhanced Raman spectroscopy, etc. At optical frequencies, metals act as a dielectric with negative permittivity and they lose their conductivity and become dispersive and lossy. As plasmonic structures are dispersive materials wich have a complicate frequency response so it is more convenient to simulate electromagnetic processes using frequency domain numerical methods. In this paper Method of Auxiliary Sources are presented as a numerical technique for simulation. MAS is frequency domain numerical solver of electromagnetic fields, which needs less computer resources then other numerical methods.
关键词： Method of Auxiliary Sources,Computational Physics,Numerical Methods,Plasmonic
更新于2025-09-16 10:30:52
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The Nature of the Oxygen Vacancy in Amorphous Oxide Semiconductors: Shallow Versus Deep
摘要： Using first-principles calculation, we investigate the nature of oxygen vacancy (VO), namely shallow versus deep, in the amorphous oxide semiconductor InGaZnO4 (a-IGZO), which has not been fully clarified despite its technological importance. Oxygen-deficient amorphous models are generated through the hybrid functional molecular dynamics (MD) simulations that allow for finding stable VO configurations while minimizing computational approximations. From eight independent models, we consistently find that VO serves as the shallow donor, increasing the Fermi level above the conduction band minimum. For comparison purpose, we also generate deep VO models by charging the system during MD simulations. It is found that deep VO is higher in the formation energy than shallow VO, confirming that shallow VO is the preferred type of oxygen vacancies in a-IGZO.
关键词： hybrid functional,computational physics,InGaZnO4,oxygen vacancy,density functional theory
更新于2025-09-09 09:28:46