The feature-rich electronic excitations of monolayer germanene lie in the significant spin-orbit coupling and the buckled structure. The collective and single-particle excitations are diversified by the magnitude and direction of transferred momentum, the Fermi energy and the gate voltage. There are four kinds of plasmon modes, according to the unique frequency- and momentum-dependent phase diagrams. They behave as two-dimensional acoustic modes at long wavelength. However, for the larger momenta, they might change into another kind of undamped plasmons, become the seriously suppressed modes in the heavy intraband e-h excitations, keep the same undamped plasmons, or decline and then vanish in the strong interband e-h excitations. Germanene, silicene and graphene are quite different from one another in the main features of the diverse plasmon modes.
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http://dx.doi.org/10.1038/srep40600 | DOI Listing |
J Chem Phys
January 2025
Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875, China.
This study presents an efficient methodology for simulating nonadiabatic dynamics of complex materials with excitonic effects by integrating machine learning (ML) models with simplified Tamm-Dancoff approximation (sTDA) calculations. By leveraging ML models, we accurately predict ground-state wavefunctions using unconverged Kohn-Sham (KS) Hamiltonians. These ML-predicted KS Hamiltonians are then employed for sTDA-based excited-state calculations (sTDA/ML).
View Article and Find Full Text PDFNano Lett
January 2025
Institute for Experimental and Applied Physics, University of Regensburg, 93040 Regensburg, Germany.
Understanding and controlling the electronic properties of two-dimensional materials are crucial for their potential applications in nano- and optoelectronics. Monolayer transition metal dichalcogenides have garnered significant interest due to their strong light-matter interaction and extreme sensitivity of the band structure to the presence of photogenerated electron-hole pairs. In this study, we investigate the transient electronic structure of monolayer WS on a graphene substrate after resonant excitation of the A-exciton using time- and angle-resolved photoemission spectroscopy.
View Article and Find Full Text PDFJ Phys Condens Matter
January 2025
Institute of Nano Science and Technology, Sector 81, Knowledge City, Manauli, Mohali, Mohali, Punjab, 140306, INDIA.
Two-dimensional (2D) materials hold great promise for the next-generation optoelectronics applications, many of which, including solar cell, rely on the efficient dissociation of exciton into free charge carriers. However, photoexcitation in atomically thin 2D semiconductors typically produces exciton with a binding energy of ~500 meV, an order of magnitude larger than thermal energy at room temperature. This inefficient exciton dissociation can limit the efficiency of photovoltaics.
View Article and Find Full Text PDFNano Lett
January 2025
Department of Chemical Engineering, Pohang University of Science and Technology (POSTECH), Pohang 37673, Republic of Korea.
Monolayer transition metal dichalcogenides are promising materials that not only are atomically thin but also have direct bandgaps, making them highly regarded in optics and optoelectronics. However, their photoluminescence exhibits almost random polarization at room temperature. The emission is also omnidirectional and weak due to the low quantum yield.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Department of Physics, University of Northern BC, Canada.
Photofragment translational spectroscopy has been used to characterize the energetics and the cross sections for photodissociation of CHI and CFI adsorbed on thin films of a variety of aromatic molecules, initiated by near-UV light. Thin films (nominally 10 monolayers) of benzene, five substituted benzenes and two naphthalenes have been employed to study systematic changes in the photochemical activity. Illumination of these systems with 248 nm light is found to result in a dissociation process for the CHI and CFI mediated by initial absorption in the aromatic thin film, followed by electronic energy transfer (EET) to the dissociating species.
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