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Coordination-Sensitive Nanoscale Analysis of Defect-Driven Phase Transformation in Si-Doped (AlXGa1-X)2O3
Shaon Das, Jith Sarker, Christopher Chae +5
Defect-driven phase instability critically influences the structural reliability of ultrawide bandgap oxides, yet direct nanoscale metrics linking local chemistry to structural tra…
Physics-informed time-series forecasting of perovskite photoluminescence stability
Alexander Wieczorek, Manuel Kober-Czerny, Fábio Lopes +5
Accelerated ageing using elevated temperatures and illumination is one of the most common methods to rapidly study the stability of novel semiconductor materials. However, as the p…
High-Throughput Exploration of Refractory High-Entropy Alloys for Strength and Plasticity
Stephen A. Giles, Hugh Shortt, Peter K. Liaw +1
Refractory high-entropy alloys (RHEAs) are compositionally complex materials which have been demonstrated to have the potential for exceptional strength at high operating temperatu…
AMaRaNTA: Automated First-Principles Exchange Parameters In 2D Magnets
Federico Orlando, Andrea Droghetti, Lorenzo Varrassi +7
Two-dimensional (2D) magnets host a wide range of exotic magnetic textures, whose low-energy excitations and finite-temperature properties are typically described by effective spin…
Observation of Anomalous Hall Effect in Bulk Single Crystals of n-type Cr-doped SbTe Magnetic Topological Insulator
Ali Sarikhani, Mathew Pollard, Jacob Cook +7
The exploration of topological Dirac surface states is significant in the realms of condensed matter physics and future technological innovations. Among the materials garnering att…
Understanding and Controlling V-Doping and S-Vacancy Behavior in Two-Dimensional Semiconductors- Toward Predictive Design
Shreya Mathela, Zhuohang Yu, Zachary D. Ward +11
Doping in transition metal dichalcogenide (TMD) monolayers provides a powerful method to precisely tailor their electronic, optical, and catalytic properties for advanced technolog…