Exchange interactions and magnetic force theorem

We critically reexamine the problem of interatomic exchange interactions, which describe the total energy change caused by infinitesimal rotations of spins near some equilibrium state in the framework of constrained spin-density functional theory (cSDFT). For small variations of the spin magnetizati...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Physical review. B 2021-03, Vol.103 (10), p.1, Article 104428
1. Verfasser:	Solovyev, I. V.
Format:	Artikel
Sprache:	eng
Schlagworte:	Antiferromagnetism Density functional theory Exchanging Ferromagnetic materials Interaction parameters Ligands Magnetic fields Magnetization Magnets Nickel Perturbation Response functions Spin dynamics Theorems
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!