Improvement of multiferroic property and change of magnetic ordering in new ANiO3 (A = Ti, Ge, Zr, Sn, Hf and Pb)

Lacerda, Luís Henrique da Silveira; Lázaro, Sérgio Ricardo de

doi:10.1016/j.commatsci.2018.06.040

Cited by 13 publications

(2 citation statements)

References 106 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…As a consequence, a weak‐ferromagnetism (wFM) magnetic behavior along the [111] direction in this polymorph is observed, as predicted by Dzyaloshinskii–Moriya interaction 85‐88 . Likewise, the ferroelectric properties for R 3 c polymorph are more pronounced along the x ‐direction; the same behavior already was reported for PbNiO 3 material in the same crystalline phase 53 . Therefore, we state that the magnetism and ferroelectricity on the R 3 c polymorph are indications of the magnetic coupling on tangent directions.…”

Section: Resultssupporting

confidence: 76%

See 1 more Smart Citation

A broad theoretical investigation of R‐3, R3c, and R‐3c polymorphs of FeCrO₃

Lacerda

Lázaro

2020

J Am Ceram Soc

Self Cite

View full text Add to dashboard Cite

The FeCrO3 is a semiconductor founded in nature as a mineral. Such material exists in three different polymorphs whose properties have been few studied. Therefore, this work has performed a broad computational investigation based on a DFT approach aiming to present the nonreported properties; such as optoelectronic, photocatalytic, and phase stability under pressure. The results have indicated that the magnetic properties of the bulk for the three polymorphs present an antiferromagnetic overall ordering, being the residual magnetism experimentally reported caused by a morphology magnetization and not by a specific surface outcrop. Likewise, as electronic as photocatalytic properties predictions have suggested a bandgap in agreement to interest for applications in chemical processes; however, but the corundum phase has shown a significant photocatalytic activity due to charge carriers’ stability. In particular, the R3c phase of the FeCrO3 has presented a multiferroic behavior, since a magnetoelectric coupling is expected. From all the results exposed in this work, we propose that the FeCrO3 material can be suggested as a high‐level candidate for technological purposes.

show abstract

Section: Resultssupporting

confidence: 76%

“…As a consequence, the spin‐orbit coupling (SOC) can be neglected because the spin symmetry is decreased/removed from the coupling effect. The reliability of such interpretation is indicated by the results reported in the literature and its agreement with experimental results 52‐55 …”

Section: Theoretical‐computational Methodologysupporting

confidence: 58%