From the 1 of 4 linked papers with an AI index.
4 papers
Theory of phonon-magnon hybridization and angular momentum in CrI and CrBr
Maxime Mignolet, Miquel Royo, Massimiliano Stengel +2
The paper develops a theoretical framework to describe how phonons and magnons hybridize in the magnetic 2D materials CrI₃ and CrBr₃, quantifying the mixing and the redistribution…
Rototranslational sum rules for nuclear dynamics via traveling pseudopotentials
Massimiliano Stengel, Miquel Royo, Emilio Artacho
We establish a set of exact sum rules that relate the interatomic force constants to the frequency-dependent electromagnetic susceptibility of a solid or molecule, thereby generali…
Dynamical response of noncollinear spin systems at constrained magnetic moments
Miquel Royo, Massimiliano Stengel
Noncollinear magnets are notoriously difficult to describe within first-principles approaches based on density-functional theory (DFT) because of the presence of low-lying spin exc…
Abinit 2025: New Capabilities for the Predictive Modeling of Solids and Nanomaterials
Matthieu J. Verstraete, Joao Abreu, Guillaume E. Allemand +71
Abinit is a widely used scientific software package implementing density functional theory and many related functionalities for excited states and response properties. This paper p…