{"title":"稀土氮化物 Ln3NIn(Ln = Nd、Pm、Sm、Eu、Gd、Tb)反包晶的结构、电子和磁弹性特性","authors":"","doi":"10.1016/j.physb.2024.416544","DOIUrl":null,"url":null,"abstract":"<div><p>Electronic structure and magneto-elastic characteristics of lanthanide nitrides Ln<sub>3</sub>NIn (Ln = Nd-Tb) are explored by DFT. The structural reported data are reliable with the experimental outcomes and the observed structural characteristics drop from Nd to Tb due to the small atomic radii of Tb compare to Nd. Electrical resistivity and electronic characteristics demonstrate that all the investigated compounds are metallic. The resistivity at 300 K emphasizes that they are effective conductors. These compounds are ideal for situation where large acting load are expected such as implants that bear a disproportionate amount of weight as endoprostheses for hip, knee and as screw, nails and plates, especially when structural materials need to have sufficient bending fatigue strength for skeletal reconstruction. These compounds are antiferromagnetic and their Neel temperatures are 18, 15, 39, 45, 27, and 33 K, respectively. These compounds might be therefore feasible for magnetic cloaking and storage technologies.</p></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.8000,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Structure, electronic and magneto-elastic properties of rare earth nitrides Ln3NIn (Ln = Nd, Pm, Sm, Eu, Gd, Tb) anti-perovskites\",\"authors\":\"\",\"doi\":\"10.1016/j.physb.2024.416544\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Electronic structure and magneto-elastic characteristics of lanthanide nitrides Ln<sub>3</sub>NIn (Ln = Nd-Tb) are explored by DFT. The structural reported data are reliable with the experimental outcomes and the observed structural characteristics drop from Nd to Tb due to the small atomic radii of Tb compare to Nd. Electrical resistivity and electronic characteristics demonstrate that all the investigated compounds are metallic. The resistivity at 300 K emphasizes that they are effective conductors. These compounds are ideal for situation where large acting load are expected such as implants that bear a disproportionate amount of weight as endoprostheses for hip, knee and as screw, nails and plates, especially when structural materials need to have sufficient bending fatigue strength for skeletal reconstruction. These compounds are antiferromagnetic and their Neel temperatures are 18, 15, 39, 45, 27, and 33 K, respectively. These compounds might be therefore feasible for magnetic cloaking and storage technologies.</p></div>\",\"PeriodicalId\":20116,\"journal\":{\"name\":\"Physica B-condensed Matter\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2024-09-13\",\"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/S0921452624008858\",\"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}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physica B-condensed Matter","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0921452624008858","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}
Structure, electronic and magneto-elastic properties of rare earth nitrides Ln3NIn (Ln = Nd, Pm, Sm, Eu, Gd, Tb) anti-perovskites
Electronic structure and magneto-elastic characteristics of lanthanide nitrides Ln3NIn (Ln = Nd-Tb) are explored by DFT. The structural reported data are reliable with the experimental outcomes and the observed structural characteristics drop from Nd to Tb due to the small atomic radii of Tb compare to Nd. Electrical resistivity and electronic characteristics demonstrate that all the investigated compounds are metallic. The resistivity at 300 K emphasizes that they are effective conductors. These compounds are ideal for situation where large acting load are expected such as implants that bear a disproportionate amount of weight as endoprostheses for hip, knee and as screw, nails and plates, especially when structural materials need to have sufficient bending fatigue strength for skeletal reconstruction. These compounds are antiferromagnetic and their Neel temperatures are 18, 15, 39, 45, 27, and 33 K, respectively. These compounds might be therefore feasible for magnetic cloaking and storage technologies.
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