Perspectives: light control of magnetism and device development

N Fang, C Wu, Y Zhang, Z Li, Z Zhou - ACS nano, 2024 - ACS Publications
Accurately controlling magnetic and spin states presents a significant challenge in
spintronics, especially as demands for higher data storage density and increased …

Electron–phonon physics from first principles using the EPW code

H Lee, S Poncé, K Bushick, S Ha**azar… - npj Computational …, 2023 - nature.com
EPW is an open-source software for ab initio calculations of electron–phonon interactions
and related materials properties. The code combines density functional perturbation theory …

Wannier-function software ecosystem for materials simulations

A Marrazzo, S Beck, ER Margine, N Marzari… - Reviews of Modern …, 2024 - APS
Over the past two decades, following the early developments on maximally localized
Wannier functions, an ecosystem of electronic-structure simulation techniques and software …

Excitonic polarons and self-trapped excitons from first-principles exciton-phonon couplings

Z Dai, C Lian, J Lafuente-Bartolome, F Giustino - Physical Review Letters, 2024 - APS
Excitons consist of electrons and holes held together by their attractive Coulomb interaction.
Although excitons are neutral excitations, spatial fluctuations in their charge density couple …

Theory of excitonic polarons: From models to first-principles calculations

Z Dai, C Lian, J Lafuente-Bartolome, F Giustino - Physical Review B, 2024 - APS
Excitons are neutral excitations that are composed of electrons and holes bound together by
their attractive Coulomb interaction. The electron and the hole forming the exciton also …

A comprehensive Review based on the synthesis, properties, morphology, functionalization, and potential applications of transition metals nitrides

H Ali, Y Orooji, Z Ajmal, M Abboud, AM Abu-Dief… - Coordination Chemistry …, 2025 - Elsevier
Transition metal nitrides (TMNs) are emerging as versatile materials with significant potential
across various fields due to their unique properties and functionalities. This review provides …

Structural, electronic, vibrational, and thermoelectric properties of Janus monolayers

DH Ozbey, MJ Varjovi, GÖ Sargın, H Sevinçli… - Physical Review B, 2024 - APS
Two-dimensional (2D) Janus systems have garnered significant scientific interest owing to
their novel properties and potential applications. The growing interest in these materials is …

Solvent controlled generation of spin active polarons in two-dimensional material under UV light irradiation

G Zoppellaro, M Medveď, V Hrubý… - Journal of the …, 2024 - ACS Publications
Polarons belong to a class of extensively studied quasiparticles that have found applications
spanning diverse fields, including charge transport, colossal magnetoresistance …

Application of metal nitrides in catalysis and adsorption of pollutants in water

S **e, J Yan, SI Alhassan, L Huang, WH Sio… - Journal of …, 2024 - Elsevier
Research on the application of metal nitrides in catalysis and adsorption of pollutants in
water is gaining increasing attention. The MN X bond is usually formed between metal and …

High-throughput screening of 2D materials identifies p-type monolayer WS2 as potential ultra-high mobility semiconductor

VA Ha, F Giustino - npj Computational Materials, 2024 - nature.com
Abstract 2D semiconductors offer a promising pathway to replace silicon in next-generation
electronics. Among their many advantages, 2D materials possess atomically-sharp surfaces …