Habiba Binte Kashem, Gopabandhu Panigrahi, Gregory Morrison, Eric A. Gabilondo, P. Shiv Halasyamani, Pandu Wisesa, Theodore M. Besmann and Hans-Conrad zur Loye*,
{"title":"助助硼硼混合法制备季系稀土硒酸盐晶体及其磁性和光学性质的研究","authors":"Habiba Binte Kashem, Gopabandhu Panigrahi, Gregory Morrison, Eric A. Gabilondo, P. Shiv Halasyamani, Pandu Wisesa, Theodore M. Besmann and Hans-Conrad zur Loye*, ","doi":"10.1021/acs.cgd.5c0018610.1021/acs.cgd.5c00186","DOIUrl":null,"url":null,"abstract":"<p >A series of rare earth magnesium selenosilicates, <i>RE</i><sub>3</sub>Mg<sub>0.5</sub>SiSe<sub>7</sub> (<i>RE</i> = Ce, Pr, Nd, Sm, Gd, Tb, Dy) were obtained as single crystal using the flux assisted boron chalcogen mixture (BCM) method. The structures of the crystals were determined by single-crystal X-ray diffraction. The <i>RE</i><sub>3</sub>Mg<sub>0.5</sub>SiSe<sub>7</sub> series crystallizes in the hexagonal crystal system in the space group <i>P</i>6<sub>3</sub>. Polycrystalline powders were synthesized to perform physical property measurements. Magnetic measurements over the 2–300 K temperature range reveal that Ce<sub>3</sub>Mg<sub>0.5</sub>SiSe<sub>7</sub> and Gd<sub>3</sub>Mg<sub>0.5</sub>SiSe<sub>7</sub> exhibit paramagnetic behavior with negative Weiss constants (θ<sub>W</sub> = −14.50, θ<sub>W</sub> = −6.13 K, respectively). The optical properties of <i>RE</i><sub>3</sub>Mg<sub>0.5</sub>SiSe<sub>7</sub> (<i>RE</i> = Ce, Pr, Nd, Sm, Gd) were measured by ultraviolet–visible (UV–vis) diffuse reflectance. Density functional theory (DFT) electronic structure calculations were performed. A second harmonic generation measurement was performed on a polycrystalline powder of Ce<sub>3</sub>Mg<sub>0.5</sub>SiSe<sub>7</sub> and was found to be SHG active with an efficiency of 0.11 times the standard potassium dihydrogen phosphate (KDP).</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 11","pages":"3767–3775 3767–3775"},"PeriodicalIF":3.4000,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal Growth of Quaternary Rare Earth Selenosilicates by Using the Flux-Assisted Boron Chalcogen Mixture Method: Investigation of Their Magnetic and Optical Properties\",\"authors\":\"Habiba Binte Kashem, Gopabandhu Panigrahi, Gregory Morrison, Eric A. Gabilondo, P. Shiv Halasyamani, Pandu Wisesa, Theodore M. Besmann and Hans-Conrad zur Loye*, \",\"doi\":\"10.1021/acs.cgd.5c0018610.1021/acs.cgd.5c00186\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >A series of rare earth magnesium selenosilicates, <i>RE</i><sub>3</sub>Mg<sub>0.5</sub>SiSe<sub>7</sub> (<i>RE</i> = Ce, Pr, Nd, Sm, Gd, Tb, Dy) were obtained as single crystal using the flux assisted boron chalcogen mixture (BCM) method. The structures of the crystals were determined by single-crystal X-ray diffraction. The <i>RE</i><sub>3</sub>Mg<sub>0.5</sub>SiSe<sub>7</sub> series crystallizes in the hexagonal crystal system in the space group <i>P</i>6<sub>3</sub>. Polycrystalline powders were synthesized to perform physical property measurements. Magnetic measurements over the 2–300 K temperature range reveal that Ce<sub>3</sub>Mg<sub>0.5</sub>SiSe<sub>7</sub> and Gd<sub>3</sub>Mg<sub>0.5</sub>SiSe<sub>7</sub> exhibit paramagnetic behavior with negative Weiss constants (θ<sub>W</sub> = −14.50, θ<sub>W</sub> = −6.13 K, respectively). The optical properties of <i>RE</i><sub>3</sub>Mg<sub>0.5</sub>SiSe<sub>7</sub> (<i>RE</i> = Ce, Pr, Nd, Sm, Gd) were measured by ultraviolet–visible (UV–vis) diffuse reflectance. Density functional theory (DFT) electronic structure calculations were performed. A second harmonic generation measurement was performed on a polycrystalline powder of Ce<sub>3</sub>Mg<sub>0.5</sub>SiSe<sub>7</sub> and was found to be SHG active with an efficiency of 0.11 times the standard potassium dihydrogen phosphate (KDP).</p>\",\"PeriodicalId\":34,\"journal\":{\"name\":\"Crystal Growth & Design\",\"volume\":\"25 11\",\"pages\":\"3767–3775 3767–3775\"},\"PeriodicalIF\":3.4000,\"publicationDate\":\"2025-05-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Crystal Growth & Design\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.cgd.5c00186\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Crystal Growth & Design","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.cgd.5c00186","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Crystal Growth of Quaternary Rare Earth Selenosilicates by Using the Flux-Assisted Boron Chalcogen Mixture Method: Investigation of Their Magnetic and Optical Properties
A series of rare earth magnesium selenosilicates, RE3Mg0.5SiSe7 (RE = Ce, Pr, Nd, Sm, Gd, Tb, Dy) were obtained as single crystal using the flux assisted boron chalcogen mixture (BCM) method. The structures of the crystals were determined by single-crystal X-ray diffraction. The RE3Mg0.5SiSe7 series crystallizes in the hexagonal crystal system in the space group P63. Polycrystalline powders were synthesized to perform physical property measurements. Magnetic measurements over the 2–300 K temperature range reveal that Ce3Mg0.5SiSe7 and Gd3Mg0.5SiSe7 exhibit paramagnetic behavior with negative Weiss constants (θW = −14.50, θW = −6.13 K, respectively). The optical properties of RE3Mg0.5SiSe7 (RE = Ce, Pr, Nd, Sm, Gd) were measured by ultraviolet–visible (UV–vis) diffuse reflectance. Density functional theory (DFT) electronic structure calculations were performed. A second harmonic generation measurement was performed on a polycrystalline powder of Ce3Mg0.5SiSe7 and was found to be SHG active with an efficiency of 0.11 times the standard potassium dihydrogen phosphate (KDP).
期刊介绍:
The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials.
Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.