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Mechanical-microstructural correlation on SPS-fabricated NiTi alloy
Tadeáš Těhan, Jaromír Kopeček, Elizaveta Iaparova +2
Mechanical properties and dynamical mechanical analysis were performed on compact Spark Plasma Sinter samples. It has been observed that the sample with less porosity reflects the…
Data-driven discovery and rapid, direct synthesis of MXenes
Ali Saffar Shamshirgar, Guilherme Ribeiro Portugal, Soheil Ershadrad +9
MXenes, two-dimensional transition-metal carbides and nitrides, are typically obtained from MAX phases, yet historical reports suggest a broader, largely unexplored chemical space.…
Machine Learning-Accelerated Band-Edge Engineering of Pnictogen Chalcohalide Solid Solutions for Solar Energy Technologies
Cibrán López, David Rovira, Edgardo Saucedo +1
Pnictogen chalcohalide (MChX; M=Bi,Sb; Ch=S,Se; X=I,Br) solid solutions combine earth-abundant constituents, tunable band gaps (- eV), and strong optical absorption, maki…
Strain control of mid-IR spectroscopic nonlinear photocurrents in PtSe
M. Gerlei, G. J. de Coster, J. Papp +4
Semi-metallic noble-metal dichalcogenides are promising materials for infrared optoelectronics, yet the origin and tunability of their nonlinear optical responses remain poorly und…
Efficient nonequilibrium electron dynamics from first-principles: leveraging Koopmans spectral functionals and Wannier localization
Giovanni Cistaro, Miguel Sá, Davide Sangalli +2
We present an efficient first-principles approach for simulating the nonequilibrium electron dynamics in extended systems beyond the linear regime. The method combines Koopmans-com…
Toward the Ultimate Limit: Elemental Metals in One Dimension
Mohammad Bagheri, Kameyab Raza Abidi, Sushree Sarita Sahoo +2
Low-dimensional materials exhibit extraordinary properties that make them promising candidates for advanced technologies. Although they have been investigated extensively, most of…