Engineering collinear magnetization in hexagonal LuFeO3 and magnetoelectric control of skyrmions in hexagonal 2D epilayers

Swamynadhan, M. J.; O'Hara, Andrew; Ghosh, Saurabh; Pantelides, Sokrates T.

doi:10.1002/adfm.202400195

Title: Engineering collinear magnetization in hexagonal LuFeO₃ and magnetoelectric control of skyrmions in hexagonal 2D epilayers

Journal Article · 06 October 2024 · Advanced Functional Materials

DOI: https://doi.org/10.1002/adfm.202400195 · OSTI ID:2396743

Swamynadhan, M. J. ^[1]; O'Hara, Andrew ^[2]; Ghosh, Saurabh ^[3]; Pantelides, Sokrates T. ^[4]

SRM Institute of Science and Technology, Tamil Nadu (India); Vanderbilt University
Vanderbilt University, Nashville, TN (United States); Western Michigan Univeristy, Kalamazoo, MI (United States)
SRM Institute of Science and Technology, Tamil Nadu (India)
Vanderbilt University, Nashville, TN (United States)

Cubic, perovskite-structure ABO_3- and A_1–xA’_xBO₃-type oxides have been investigated extensively while their hexagonal structure versions have not, even though they are multiferroic and can form heterostructures with hexagonal 2D materials. In particular, multiferroic 2D epilayers may lead to strong magnetoelectric coupling. Hexagonal RFeO₃ ferrites, where R is a rare-earth element (Lu, Yb, etc.), are excellent candidates, but their ferromagnetism isweak. In this paper, we employ density-functional-theory (DFT) calculations and first show that heavy electron doping of hexagonal LuFeO₃ (h-LFO), namely Lu_1–xHf_x FeO₃ (h-LHFO), leads to spin-disproportionation of the Fe sublattices and, especially for x = 1/2 and 2/3, to robust, room-temperature, out-of-plane, collinear ferrimagnetism that is stabilized by a Jahn-Teller metal-to-insulator transition. We then show that h-LHFO/h-2D heterostructures, where h-2D is the FE/ FM monolayer MnSTe, stabilize skyrmions without an external magnetic field and control their chirality by an external electric field through the h-LHFO polarization, opening up a new realm for magnetoelectric applications.

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Research Organization:: Vanderbilt University, Nashville, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: FG02-09ER46554; AC02-05CH11231

OSTI ID:: 2396743

Journal Information:: Advanced Functional Materials, Journal Name: Advanced Functional Materials Journal Issue: 41 Vol. 34; ISSN 1616-301X

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
collinear ferrimagnetism
hLuFeO3
magnetic skyrmions

Title: Engineering collinear magnetization in hexagonal LuFeO3 and magnetoelectric control of skyrmions in hexagonal 2D epilayers

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Title: Engineering collinear magnetization in hexagonal LuFeO₃ and magnetoelectric control of skyrmions in hexagonal 2D epilayers