{"title":"Magnetic structure and magnetic properties of Fe3BO5 and Mn3BO5 ludwigites","authors":"Natalia Zamkova , Vyacheslav Zhandun","doi":"10.1016/j.physb.2024.416754","DOIUrl":null,"url":null,"abstract":"<div><div><em>The magnetic ground state of transition metal ludwigites Fe</em><sub><em>3</em></sub><em>BO</em><sub><em>5</em></sub> <em>and Mn</em><sub><em>3</em></sub><em>BO</em><sub><em>5</em></sub> <em>was studied via the combination of representations analysis and the following DFT total energy calculations of possible magnetic configurations. The distinct in the magnetic properties of ludwigites was analyzed through estimation of exchange constants. The pressure evolution of manganese magnetic moments in Mn</em><sub><em>3</em></sub><em>BO</em><sub><em>5</em></sub> <em>reveals the site-dependent behavior of magnetic moments. The manganese magnetic moments in 4-2-4 triads experience the sharp decrease above the pressure of</em> 50 GPa<em>, whereas magnetic moments in 3-1-3 triads have the weak dependence on pressure. The pressure-induced transition from half-metal state to metal state is also being found in Mn</em><sub><em>3</em></sub><em>BO</em><sub><em>5</em></sub>.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416754"},"PeriodicalIF":2.8000,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physica B-condensed Matter","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0921452624010950","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
引用次数: 0
Abstract
The magnetic ground state of transition metal ludwigites Fe3BO5and Mn3BO5was studied via the combination of representations analysis and the following DFT total energy calculations of possible magnetic configurations. The distinct in the magnetic properties of ludwigites was analyzed through estimation of exchange constants. The pressure evolution of manganese magnetic moments in Mn3BO5reveals the site-dependent behavior of magnetic moments. The manganese magnetic moments in 4-2-4 triads experience the sharp decrease above the pressure of 50 GPa, whereas magnetic moments in 3-1-3 triads have the weak dependence on pressure. The pressure-induced transition from half-metal state to metal state is also being found in Mn3BO5.
期刊介绍：
Physica B: Condensed Matter comprises all condensed matter and material physics that involve theoretical, computational and experimental work.
Papers should contain further developments and a proper discussion on the physics of experimental or theoretical results in one of the following areas:
-Magnetism
-Materials physics
-Nanostructures and nanomaterials
-Optics and optical materials
-Quantum materials
-Semiconductors
-Strongly correlated systems
-Superconductivity
-Surfaces and interfaces
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
