The symmetry indicator is widely used to classify topological materials hosting inversion symmetry. We find orthorhombic LiAuBi in space group is a topological insulator with under no strain via first-principles calculations. Due to small band gaps in the = 0 plane, the band inversions can be selectively induced by moderate external strains to realize phases covering all values of = 1, 2, 3, and 0. Detailed phase diagrams are plotted under various moderate strains. The (001) surface states and their associated Fermi surfaces and spin textures are calculated. The topological surface states have different connectivities and different spin textures for the four different phases. The tunability of topological surface states via moderate strain suggests LiAuBi as an attractive topological material for device applications.
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http://dx.doi.org/10.1021/acs.nanolett.3c04279 | DOI Listing |
Chemistry
January 2025
University of Hyderabad School of Chemistry, School of Chemistry, School of Chemistry, University of Hyderabad, 500046, Hyderabad, INDIA.
The amorphous/crystalline (A/C) assembly in molecular solids has a direct bearing on their attributes and applications, including mechanical, pharmaceutical, electronic and photophysical. A systematic analysis of the molecular features and interactions that determine the predilection towards the A, C or bi-stable A-C states is critical. This fundamental problem is addressed through an exhaustive investigation of a large family of alkoxyalkyl diaminodicyanoquinodimethanes (ROR'-DADQs); enhancement of their fluorescence from the solution, to the A, to the C state serves as an excellent signature of the phase preference and temporal stability.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
School of Rare Earths, University of Science and Technology of China, Hefei 230026, China.
Achieving ultrahigh permeance and superoleophobicity is crucial for membrane application. Here, we demonstrated that a poly(ionic liquid)/PES hydrogel membrane can achieve dual goals. The high polarity of the ionic liquids induces the water molecules on the membrane surface to be arranged more ordered, as verified by molecular dynamics (MD) simulation and advanced femtosecond sum frequency generation (SFG) vibrational spectroscopy.
View Article and Find Full Text PDFACS Nano
January 2025
Department of Chemistry, Boston University, 590 Commonwealth Ave., Boston, Massachusetts 02215, United States.
The bulk phase of transition metal nitrides (TMNs) has long been a subject of extensive investigation due to their utility as coating materials, electrocatalysts, and diffusion barriers, attributed to their high conductivity and refractory properties. Downscaling TMNs into two-dimensional (2D) forms would provide valuable members to the existing 2D materials repertoire, with potential enhancements across various applications. Moreover, calculations have anticipated the emergence of uncommon physical phenomena in TMNs at the 2D limit.
View Article and Find Full Text PDFACS EST Air
January 2025
Lyles School of Civil & Construction Engineering, Purdue University, West Lafayette, Indiana 47907, United States.
Commercial HVAC systems intended to mitigate indoor air pollution are operated based on standards that exclude aerosols with smaller diameters, such as ultrafine particles (UFPs, D ≤ 100 nm), which dominate a large proportion of indoor and outdoor number-based particle size distributions. UFPs generated from occupant activities or infiltrating from the outdoors can be recirculated and accumulate indoors when they are not successfully filtered by an air handling unit. Monitoring UFPs in real occupied environments is vital to understanding these source and mitigation dynamics, but capturing their rapid transience across multiple locations can be challenging due to high-cost instrumentation.
View Article and Find Full Text PDFACS EST Air
January 2025
Environmental Engineering Program, University of Colorado Boulder, 1111 Engineering Drive, Boulder, Colorado 80309-0428, United States.
Quantifying changes in the properties of smoke aerosols under varying conditions is important for understanding the health and environmental impacts of exposure to smoke. Smoke composition, aerosol liquid water content, effective density (ρ), and other properties can change significantly as smoke travels through areas under different ambient conditions and over time. During this study, we measured changes in smoke composition and physical properties due to oxidative aging and exposure to humidity.
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