4 papers
Charge-Density-Wave Phase Transitions in Monolayer 1T-TaS2 from Universal Machine Learning Molecular Dynamics
Valentina Nesterova, Tribhuwan Pandey, Tom Berlijn +3
Charge-density-wave (CDW) phases in 1T transition-metal dichalcogenides arise from strong electron-phonon coupling and accompanying lattice instabilities. Capturing their temperatu…
Electronic-Structure Correlations Governing Superconductivity in Nb-Based High-Entropy Alloys
Md Sabbir Hossen Bijoy, Vladislav Korostelev, Deva Prasaad Neelakandan +10
Superconducting high-entropy alloys have recently emerged as a new platform for exploring superconductivity in highly disordered metallic systems and may offer advantages for appli…
Hydrogen in Brownmillerite Perovskites: First-Principles Insights into Energetics and Induced Electronic-Magnetic Changes
Vladislav Korostelev, Pjotrs Žguns, Konstantin Klyukin
Hydrogen uptake in brownmillerite perovskites A2B2O5 offers an (electro)chemically accessible route to tune functional properties, but mechanistic understanding and design rules fo…
Anomalous spin-lattice coupling in a 2D antiferromagnetic semiconductor revealed by surface acoustic Rayleigh waves
Zahra Ebrahim Nataj, Md. Sabbir Hossen Bijoy, Vladislav Korostelev +5
Magnetic order in van der Waals magnets can strongly influence their lattice dynamics, yet how this interaction manifests across different phonon length scales remains unclear. Opt…