Pressure effects on the lattice dynamics and the chemical bonding of the three-dimensional topological insulator, Sb2Te3, have been studied from a first-principles perspective in its rhombohedral phase. Where it is possible to compare, theory agrees with most of the measured phonon dispersions. We find that the inclusion of relativistic effects, in terms of the spin-orbit interaction, affects the vibrational features to some extend and creates large fluctuations on phonon density of state in high frequency zone. By investigations of structure and electronic structure, we analyze in detail the semiconductor to metal transition at ∼2 GPa followed by an electronic topological transition at a pressure of ∼4.25 GPa.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1063/1.4919683 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Operando monitoring of the functional role of tetrahedral cobalt centers for the oxygen evolution reaction.
Nat Commun
January 2025
Department of Chemistry, University of Zurich, Zurich, Switzerland.
The complexity of the intrinsic oxygen evolution reaction (OER) mechanism, particularly the precise relationships between the local coordination geometry of active metal centers and the resulting OER kinetics, remains to be fully understood. Herein, we construct a series of 3 d transition metal-incorporated cobalt hydroxide-based nanobox architectures for the OER which contain tetrahedrally coordinated Co(II) centers. Combination of bulk- and surface-sensitive operando spectroelectrochemical approaches reveals that tetrahedral Co(II) centers undergo a dynamic transformation into highly active Co(IV) intermediates acting as the true OER active species which activate lattice oxygen during the OER.
View Article and Find Full Text PDFCo-Atomic Interface Minimizing Charge Transfer Barrier in Polytypic Perovskites for CO Photoreduction.
Adv Sci (Weinh)
January 2025
School of Resources and Environment, University of Electronic Science and Technology of China, Chengdu, 611731, China.
Heterojunctions, known for their decent separation of photo-generated electrons and holes, are promising for photocatalytic CO reduction. However, a significant obstacle in traditional post-assembled heterojunctions is the high interfacial barrier for charge transfer caused by atomic lattice mismatch at multiphase interfaces. Here, as research prototypes, the study creates a lattice-matched co-atomic interface within CsPbBr-CsPbBr polytypic nanocrystals (113-125 PNs) through the proposed in situ hybrid strategy to elucidate the underlying charge transfer mechanism within this unique interface.
View Article and Find Full Text PDFElectromagnetic Wavefront Engineering by Switchable and Multifunctional Kirigami Metasurfaces.
Nanomaterials (Basel)
January 2025
Shanghai Engineering Research Centre of Ultra Precision Optical Manufacturing, Department of Optical Science and Engineering, School of Information Science and Technology, Fudan University, Shanghai 200433, China.
Developing switchable and multifunctional metasurfaces is essential for high-integration photonics. However, most previous studies encountered challenges such as limited degrees of freedom, simple tuning of predefined functionality, and complicated control systems. Here, we develop a general strategy to construct switchable and multifunctional metasurfaces.
View Article and Find Full Text PDFQuantum state processing through controllable synthetic temporal photonic lattices.
Nat Photonics
October 2024
Institut national de la recherche scientifique, Centre Énergie Matériaux Télécommunications, Varennes, Quebec Canada.
Quantum walks on photonic platforms represent a physics-rich framework for quantum measurements, simulations and universal computing. Dynamic reconfigurability of photonic circuitry is key to controlling the walk and retrieving its full operation potential. Universal quantum processing schemes based on time-bin encoding in gated fibre loops have been proposed but not demonstrated yet, mainly due to gate inefficiencies.
View Article and Find Full Text PDFPhotocatalytic asymmetric C-C coupling for CO reduction on dynamically reconstructed Ru-O/Ru-O sites.
Nat Commun
January 2025
Department of Chemical and Petroleum Engineering, University of Calgary, 2500 University Drive, NW, Calgary, AB, Canada.
Solar-driven CO reduction to value-added C chemicals is thermodynamically challenging due to multiple complicated steps. The design of active sites and structures for photocatalysts is necessary to improve solar energy efficiency. In this work, atomically dispersed Ru-O sites in RuInO are constructed by interior lattice anchoring of Ru.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!