Моделирование слабого ферромагнетизма в антиферромагнетиках MnCO3, CoCO3, NiCO3

Abstract

We report on the results of the first-principles calculations of 3 CoCO and 3 NiCO carried out by using an all-electron full-potential linearised augmented-plane wave code (Elk FP-LAPW). In LDA+U approximation the spectral functions and local magnetic moments on metal atoms were obtained. By taking into account spin-orbit coupling in LDA+U+SO approximation the canting angle governed by Dzyaloshinskii-Moriya interaction was calculated.