Influence of normal and shear strain on magnetic anisotropy energy of hcp cobalt: An ab initio study

Abstract

Abstract

Modification of Pt/Co/Pt film properties by ion irradiation

“…Assuming the strong dependence of magnetic anisotropy on the thickness of the Co layer in trilayer Pt/Co/Pt films [11], this variation in the thickness of the hcp layer could already explain the appearance of PMA. However, according to ab initio studies [55], the appearance of PMA in hcp Co is related to a lateral tensile strain and the reduction in the c/a ratio, which was experimentally observed [21] only in the thin hcp Co/Pt structures. We also performed the calculation of strains in the irradiated samples, which will be addressed later on in the discussion.…”

Effect of coverage on the magnetic properties of –COOH, –SH, and –NH2 ligand-protected cobalt nanoparticles

“…The calculated value for the hcp phase is considerably lower compared to the experimental data, which is a well-known deficiency of the DFT approach and in accord with other theoretical works. 59,63 A systematic study of the comparison of the Co MAE as obtained by various exchange-correlation functions and initial magnetic moment parameters showed no prominent difference between GGA functionals (PBE, PBE-pv, PBE-sv, and PW91), with all four correctly predicting the easy axis of magnetisation. 63 Additionally, the results of the study indicate that the magnitude of the MAE underestimation is similar regardless of the chosen functional.…”

“…59,63 A systematic study of the comparison of the Co MAE as obtained by various exchange-correlation functions and initial magnetic moment parameters showed no prominent difference between GGA functionals (PBE, PBE-pv, PBE-sv, and PW91), with all four correctly predicting the easy axis of magnetisation. 63 Additionally, the results of the study indicate that the magnitude of the MAE underestimation is similar regardless of the chosen functional. Despite this underestimation of the MAE for bulk hcp Co, the qualitative trend for the variation of the MAE values as a function of ligand coverage density is expected to be captured properly.…”