{"title":"压力对 SrFe2X2(X = P、As、Sb)铁基超导体的电子、磁性和费米面研究的影响","authors":"R. Mahesh, P. Venugopal Reddy","doi":"10.1007/s11664-024-11406-0","DOIUrl":null,"url":null,"abstract":"<p>In ordered to understand the electronic structure, structural phase stability, magnetic properties, and Fermi surface studies of the 122 type of SrFe<sub>2</sub>X<sub>2</sub>, where (X = P, As, Sb) were investigated. For this purpose, the plane wave self-consistent method was used. Using the Brich–Murnaghan equation, their electronic structure and magnetic ordering were also investigated. It was understood that, under pressure, the compound SrFe<sub>2</sub>As<sub>2</sub> undergoes a structural phase change from the tetragonal phase into the collapsed tetragonal phase. Further, due to their larger lattice constants, antimonides with larger local iron magnetic moment exhibit an enhanced Hund's rule coupling. Furthermore, smaller intra-atomic exchange coupling and significantly smaller lattice constants may be the cause of the extremely small local Fe moment for phosphates. The analysis of the valence charge density in the collapsed tetragonal phase demonstrates that the interactions between As atoms are more pronounced when compressed along the <i>c</i>-axis. The strength of this interaction is primarily governed by the Fe-As chemical bonding. The collapsed tetragonal phase of SrFe<sub>2</sub>As<sub>2</sub> compounds, as observed in Fermi surface studies, indicates the absence of nesting of Fermi surfaces. It is clear that, from the studies, the tetragonal phase of Fermi surface nesting resulted in the long-range magnetic order, leading to the presence of superconductivity.</p>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":null,"pages":null},"PeriodicalIF":2.2000,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Influence of Pressure on Electronic, Magnetic Behavior, and Fermi Surface Studies of SrFe2X2 (X = P, As, Sb) Iron-Based Superconductors\",\"authors\":\"R. Mahesh, P. Venugopal Reddy\",\"doi\":\"10.1007/s11664-024-11406-0\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>In ordered to understand the electronic structure, structural phase stability, magnetic properties, and Fermi surface studies of the 122 type of SrFe<sub>2</sub>X<sub>2</sub>, where (X = P, As, Sb) were investigated. For this purpose, the plane wave self-consistent method was used. Using the Brich–Murnaghan equation, their electronic structure and magnetic ordering were also investigated. It was understood that, under pressure, the compound SrFe<sub>2</sub>As<sub>2</sub> undergoes a structural phase change from the tetragonal phase into the collapsed tetragonal phase. Further, due to their larger lattice constants, antimonides with larger local iron magnetic moment exhibit an enhanced Hund's rule coupling. Furthermore, smaller intra-atomic exchange coupling and significantly smaller lattice constants may be the cause of the extremely small local Fe moment for phosphates. The analysis of the valence charge density in the collapsed tetragonal phase demonstrates that the interactions between As atoms are more pronounced when compressed along the <i>c</i>-axis. The strength of this interaction is primarily governed by the Fe-As chemical bonding. The collapsed tetragonal phase of SrFe<sub>2</sub>As<sub>2</sub> compounds, as observed in Fermi surface studies, indicates the absence of nesting of Fermi surfaces. It is clear that, from the studies, the tetragonal phase of Fermi surface nesting resulted in the long-range magnetic order, leading to the presence of superconductivity.</p>\",\"PeriodicalId\":626,\"journal\":{\"name\":\"Journal of Electronic Materials\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.2000,\"publicationDate\":\"2024-09-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Electronic Materials\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://doi.org/10.1007/s11664-024-11406-0\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"ENGINEERING, ELECTRICAL & ELECTRONIC\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Electronic Materials","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.1007/s11664-024-11406-0","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENGINEERING, ELECTRICAL & ELECTRONIC","Score":null,"Total":0}
引用次数: 0
摘要
为了了解 122 型 SrFe2X2(其中 X = P、As、Sb)的电子结构、结构相稳定性、磁性能和费米面研究,我们对其进行了研究。为此,采用了平面波自洽方法。利用布里奇-默纳汉方程,还研究了它们的电子结构和磁有序性。据了解,在压力作用下,化合物 SrFe2As2 会发生结构相变,从四方相变为坍塌四方相。此外,由于晶格常数较大,局部铁磁矩较大的锑化物表现出更强的亨德法则耦合。此外,较小的原子内交换耦合和明显较小的晶格常数可能是磷酸盐局部铁磁矩极小的原因。对坍缩四方相中价电荷密度的分析表明,当沿 c 轴压缩时,As 原子间的相互作用更加明显。这种相互作用的强度主要受铁-砷化学键的影响。在费米面研究中观察到的 SrFe2As2 化合物的塌缩四方相表明费米面没有嵌套。从研究中可以清楚地看出,费米面嵌套的四方相导致了长程磁序,从而出现了超导现象。
Influence of Pressure on Electronic, Magnetic Behavior, and Fermi Surface Studies of SrFe2X2 (X = P, As, Sb) Iron-Based Superconductors
In ordered to understand the electronic structure, structural phase stability, magnetic properties, and Fermi surface studies of the 122 type of SrFe2X2, where (X = P, As, Sb) were investigated. For this purpose, the plane wave self-consistent method was used. Using the Brich–Murnaghan equation, their electronic structure and magnetic ordering were also investigated. It was understood that, under pressure, the compound SrFe2As2 undergoes a structural phase change from the tetragonal phase into the collapsed tetragonal phase. Further, due to their larger lattice constants, antimonides with larger local iron magnetic moment exhibit an enhanced Hund's rule coupling. Furthermore, smaller intra-atomic exchange coupling and significantly smaller lattice constants may be the cause of the extremely small local Fe moment for phosphates. The analysis of the valence charge density in the collapsed tetragonal phase demonstrates that the interactions between As atoms are more pronounced when compressed along the c-axis. The strength of this interaction is primarily governed by the Fe-As chemical bonding. The collapsed tetragonal phase of SrFe2As2 compounds, as observed in Fermi surface studies, indicates the absence of nesting of Fermi surfaces. It is clear that, from the studies, the tetragonal phase of Fermi surface nesting resulted in the long-range magnetic order, leading to the presence of superconductivity.
期刊介绍:
The Journal of Electronic Materials (JEM) reports monthly on the science and technology of electronic materials, while examining new applications for semiconductors, magnetic alloys, dielectrics, nanoscale materials, and photonic materials. The journal welcomes articles on methods for preparing and evaluating the chemical, physical, electronic, and optical properties of these materials. Specific areas of interest are materials for state-of-the-art transistors, nanotechnology, electronic packaging, detectors, emitters, metallization, superconductivity, and energy applications.
Review papers on current topics enable individuals in the field of electronics to keep abreast of activities in areas peripheral to their own. JEM also selects papers from conferences such as the Electronic Materials Conference, the U.S. Workshop on the Physics and Chemistry of II-VI Materials, and the International Conference on Thermoelectrics. It benefits both specialists and non-specialists in the electronic materials field.
A journal of The Minerals, Metals & Materials Society.