{"title":"用于光电子学和自旋电子学应用的 Mg1-xMnxS 合金的磁光特性研究","authors":"","doi":"10.1016/j.physb.2024.416629","DOIUrl":null,"url":null,"abstract":"<div><div>Herein, the optical, electronic and magnetic properties of Mg<sub>1-x</sub>Mn<sub>x</sub>S alloys are computed by employing density functional theory. The full-potential linearized augmented plane wave (FP-LAPW) method was used within the frame work of Wein2k to explore spin polarized band structure along with total and partial density of states. The results of spin polarized band structure calculations exhibited semiconducting character in both spin states. The net magnetic moment (μ<sub>B</sub>) is primarily credited to presence of partially filled 3d state of Mn atom. μ<sub>B</sub> gives evidence of <em>p-d</em> hybridization between orbitals of Mn and parent lattice ions. Optical characteristics of Mg<sub>1-x</sub>Mn<sub>x</sub>S including dielectric constants along with relevant features have been reported at 0–10 eV energy range. High value of absorption coefficient and smaller reflectance in ultraviolet energy span suggests potentiality of doped alloy for optoelectronic applications. Moreover, ferromagnetic character makes it suitable for spintronic storage devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.8000,"publicationDate":"2024-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Investigation of magneto-optoelectronics properties of Mg1-xMnxS alloys for optoelectronics and spintronic applications\",\"authors\":\"\",\"doi\":\"10.1016/j.physb.2024.416629\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Herein, the optical, electronic and magnetic properties of Mg<sub>1-x</sub>Mn<sub>x</sub>S alloys are computed by employing density functional theory. The full-potential linearized augmented plane wave (FP-LAPW) method was used within the frame work of Wein2k to explore spin polarized band structure along with total and partial density of states. The results of spin polarized band structure calculations exhibited semiconducting character in both spin states. The net magnetic moment (μ<sub>B</sub>) is primarily credited to presence of partially filled 3d state of Mn atom. μ<sub>B</sub> gives evidence of <em>p-d</em> hybridization between orbitals of Mn and parent lattice ions. Optical characteristics of Mg<sub>1-x</sub>Mn<sub>x</sub>S including dielectric constants along with relevant features have been reported at 0–10 eV energy range. High value of absorption coefficient and smaller reflectance in ultraviolet energy span suggests potentiality of doped alloy for optoelectronic applications. Moreover, ferromagnetic character makes it suitable for spintronic storage devices.</div></div>\",\"PeriodicalId\":20116,\"journal\":{\"name\":\"Physica B-condensed Matter\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2024-10-15\",\"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/S0921452624009700\",\"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/S0921452624009700","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
摘要
本文采用密度泛函理论计算了 Mg1-xMnxS 合金的光学、电子和磁学特性。在 Wein2k 的框架内使用了全电位线性化增强平面波(FP-LAPW)方法来探索自旋极化带结构以及总态密度和部分态密度。自旋极化带结构计算的结果表明,两种自旋态都具有半导体特性。净磁矩(μB)主要归功于锰原子部分填充 3d 态的存在。据报道,Mg1-xMnxS 的光学特性包括介电常数以及 0-10 eV 能量范围内的相关特征。紫外线能量范围内的高吸收系数和较小的反射率表明,掺杂合金具有光电应用的潜力。此外,铁磁特性也使其适用于自旋电子存储设备。
Investigation of magneto-optoelectronics properties of Mg1-xMnxS alloys for optoelectronics and spintronic applications
Herein, the optical, electronic and magnetic properties of Mg1-xMnxS alloys are computed by employing density functional theory. The full-potential linearized augmented plane wave (FP-LAPW) method was used within the frame work of Wein2k to explore spin polarized band structure along with total and partial density of states. The results of spin polarized band structure calculations exhibited semiconducting character in both spin states. The net magnetic moment (μB) is primarily credited to presence of partially filled 3d state of Mn atom. μB gives evidence of p-d hybridization between orbitals of Mn and parent lattice ions. Optical characteristics of Mg1-xMnxS including dielectric constants along with relevant features have been reported at 0–10 eV energy range. High value of absorption coefficient and smaller reflectance in ultraviolet energy span suggests potentiality of doped alloy for optoelectronic applications. Moreover, ferromagnetic character makes it suitable for spintronic storage devices.
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