Band engineering for large perpendicular magnetocrystalline anisotropy and low magnetic Gilbert damping constant by anion substitution at Fe/MgO interface
{"title":"Band engineering for large perpendicular magnetocrystalline anisotropy and low magnetic Gilbert damping constant by anion substitution at Fe/MgO interface","authors":"Y.-N. Apriati, K. Nawa, K. Nakamura","doi":"10.1063/5.0248379","DOIUrl":null,"url":null,"abstract":"Large interfacial perpendicular magnetocrystalline anisotropy (iPMA) and low Gilbert magnetic damping constant (α) in magnetic tunnel junctions (MTJs) are desired to achieve higher storage density and lower standby power operations in magnetic random-access memory. This work theoretically investigates effects of nitrogen and fluoride anions (N-anion and F-anion) substitution on the MgO barrier interface of Fe/MgO/Fe MTJ for iPMA and α using first-principles calculations. We find that the N-anion substitution significantly enhances iPMA by four times and reduces α by 65% compared to the pristine Fe/MgO/Fe, indicating a guideline toward an MTJ with large iPMA and low α simultaneously. The mechanism is explained by a band realignment at the Fermi level (EF) where Fe d±1 (dxz,dyz) orbitals at the interface are pushed above and below EF but Fe d±2 (dxy, dx2−y2) orbitals remain at EF by the N-anion substitution.","PeriodicalId":8094,"journal":{"name":"Applied Physics Letters","volume":"14 1","pages":""},"PeriodicalIF":3.5000,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Applied Physics Letters","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1063/5.0248379","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"PHYSICS, APPLIED","Score":null,"Total":0}
引用次数: 0
Abstract
Large interfacial perpendicular magnetocrystalline anisotropy (iPMA) and low Gilbert magnetic damping constant (α) in magnetic tunnel junctions (MTJs) are desired to achieve higher storage density and lower standby power operations in magnetic random-access memory. This work theoretically investigates effects of nitrogen and fluoride anions (N-anion and F-anion) substitution on the MgO barrier interface of Fe/MgO/Fe MTJ for iPMA and α using first-principles calculations. We find that the N-anion substitution significantly enhances iPMA by four times and reduces α by 65% compared to the pristine Fe/MgO/Fe, indicating a guideline toward an MTJ with large iPMA and low α simultaneously. The mechanism is explained by a band realignment at the Fermi level (EF) where Fe d±1 (dxz,dyz) orbitals at the interface are pushed above and below EF but Fe d±2 (dxy, dx2−y2) orbitals remain at EF by the N-anion substitution.
期刊介绍:
Applied Physics Letters (APL) features concise, up-to-date reports on significant new findings in applied physics. Emphasizing rapid dissemination of key data and new physical insights, APL offers prompt publication of new experimental and theoretical papers reporting applications of physics phenomena to all branches of science, engineering, and modern technology.
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