Many-body perturbational GW approximation in conjunction with the Bethe-Salpeter equation (BSE) has been employed to calculate accurate electronic and optical band gaps of bulk hexagonal boron nitride (h-BN) in the two most important stacking configurations, AA' and AB. The carefully converged results revealed h-BN as an indirect material (indirect gap ≈ 6.1 eV) with a huge excitonic effect (≈0.8 eV) in perfect agreement with recent experiments [Nat. Photonics, 2016, 10, 262; Appl. Phys. Lett., 2016, 109, 122101]. The K-H region of the first Brillouin zone has been shown as the most important for lowest optical excitations in h-BN. Surprisingly, simple scissor corrected DFT has described h-BN band structure at the GW level and subsequent time-dependent DFT with a suitable exchange correlation kernel has provided absorption spectra similar to the full GW+BSE spectra.
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http://dx.doi.org/10.1039/c8cp07328g | DOI Listing |
Nat Commun
December 2024
Department of Electronic Engineering, The Chinese University of Hong Kong, Shatin, Hong Kong SAR, China.
Reservoir computing (RC) is a powerful machine learning algorithm for information processing. Despite numerous optical implementations, its speed and scalability remain limited by the need to establish recurrent connections and achieve efficient optical nonlinearities. This work proposes a streamlined photonic RC design based on a new paradigm, called next-generation RC, which overcomes these limitations.
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December 2024
Key Laboratory for Quantum Materials of Zhejiang Province, Department of Physics, School of Science, Westlake University, 18 Shilongshan Road, Hangzhou, 310024, Zhejiang Province, China.
Extending ferroelectric materials to two-dimensional limit provides versatile applications for the development of next-generation nonvolatile devices. Conventional ferroelectricity requires materials consisting of at least two constituent elements associated with polar crystalline structures. Monolayer graphene as an elementary two-dimensional material unlikely exhibits ferroelectric order due to its highly centrosymmetric hexagonal lattices.
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December 2024
Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior, 474 011, India.
This study presents a comprehensive investigation into the intrinsic properties of RNiP (where R = Sm, Eu) filled skutterudite, employing the full-potential linearized augmented plane wave method within density functional theory (DFT) simulations using the WIEN2k framework. Structural, phonon stability, mechanical, electronic, magnetic, transport, thermal, and optical properties are thoroughly explored to provide a holistic understanding of these materials. Initially, the structural stability of SmNiP and EuNiP is rigorously evaluated through ground-state energy calculations obtained from structural optimizations, revealing a preference for a stable ferromagnetic phase over competing antiferromagnetic and non-magnetic phases.
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December 2024
Department of Electronic and Computer Engineering, Hong Kong University of Science and Technology, Hong Kong SAR, China.
Small-scale continuum robots hold promise for interventional diagnosis and treatment, yet existing models struggle to achieve small size, precise steering, and visualized functional treatment simultaneously, termed an "impossible trinity". This study introduces an optical fiber-based continuum robot integrated imaging, high-precision motion, and multifunctional operation abilities at submillimeter-scale. With a slim profile of 0.
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December 2024
Department of Physics and Astronomy, Seoul National University, Seoul, 08826, Korea.
Fermi polarons are emerging quasiparticles when a bosonic impurity immersed in a fermionic bath. Depending on the boson-fermion interaction strength, the Fermi-polaron resonances exhibit either attractive or repulsive interactions, which impose further experimental challenges on understanding the subtle light-driven dynamics. Here, we report the light-driven dynamics of attractive and repulsive Fermi polarons in monolayer WSe devices.
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