...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Crystal growth & design >Site-Selective n-Type 'Heavy' Rare-Earth-Metal Doping in the Complex Zintl Phase Ca11-xRExSb10-y (RE = Tb, Dy, Ho, Er, Tm)
【24h】

Site-Selective n-Type 'Heavy' Rare-Earth-Metal Doping in the Complex Zintl Phase Ca11-xRExSb10-y (RE = Tb, Dy, Ho, Er, Tm)

机译：在复杂的Zintl相Ca11-xrexsb10-y（Re = Tb，Dy，Ho，Er，Tm）中，稀土 - 金属掺杂在复杂的Zintl相Ca11-Xrexsb10-Y中的稀土金属掺杂

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Five novel Zintl phases belonging to the ternary Ca11-xRExSb10-y (RE = Tb, Dy, Ho, Er, Tm; 0.35(6) <= x <= 0.41(4), 0.27(1) <= y <= 0.51(2)) system were successfully synthesized by the arc-melting method, and their crystal structures were carefully determined by using powder and single-crystal X-ray diffraction (PXRD and SXRD) analyses. Large amounts of nicely grown plate-shaped single crystals were easily obtained using this relatively facile synthetic method, and all title compounds adopted the tetragonal I4/mmm space group with Z = 4 and a Pearson code of tI84. This isotypic Ho11Ge10-type structure of the title compounds can be illustrated as a combination of (1) three different types of cationic coordination polyhedra centered by three isolated Sb atoms and (2) three-dimensional (3D) anionic frameworks formed by two different types of Sb atoms. These ternary compounds successfully accommodated the n-type RE3+ dopants at the Ca2 (Wyckoff 16n) site of the parental binary Ca11Sb10, and this particular site preference can be elucidated by the substituting cationic size and the volume of the provided cationic site. A series of theoretical calculations were also performed using the hypothetical model Ca10.5Ho0.5Sb10 by the tight-binding linear muffin-tin orbital (TB-LMTO) method. Thorough analyses of crystal orbital Hamilton population (COHP) curves proved that the antibonding character of the Sb3-Sb3 bond induced the observed deficiencies of the square Sb-4 sites. Magnetic property measurements performed for three title compounds, Ca10.59(4)Dy0.41Sb9.71(1), Ca10.61(3)Ho0.39Sb9.69(1), and Ca10.64(3)Er0.36Sb9.73(1), indicated the antiferromagnetic (AFM) interactions of RE elements at relatively low temperatures with paramagnetic Curie temperatures of -2.24, -2.80, and -2.98 K, respectively.
机译：属于三元CA11-XREXSB10-Y的五个新的Zintl相（Re = Tb，Dy，HO，ER，Tm; 0.35（6）<= x <= 0.41（4），0.27（1）<= Y <= 0.51 （2））通过电弧熔化方法成功合成了系统，通过使用粉末和单晶X射线衍射（PXRD和SXRD）分析仔细确定它们的晶体结构。使用这种相对容易的合成方法容易获得大量的精细种植的板状单晶，并且所有标题化合物采用具有Z = 4的四方I4 / mmm空间组和Ti84的Pearson代码。标题化合物的这种同种型HO11ge10结构可以被示出为（1）三种不同类型的阳离子协调多面体的组合，其由三个分离的Sb原子和（2）三维（3D）阴离子框架为中心，由两种不同类型形成SB原子。这些三元化合物成功地容纳在父母二元CA11sB10的CA2（Wyckoff 16n）位点处的N型RE3 +掺杂剂，并且通过替代阳离子尺寸和所提供的阳离子位点的体积可以阐明该特定的位点偏好。还使用Bancothigation Model Ca10.5HO0.5SB10进行了一系列理论计算，通过紧密结合的线性松饼 - 锡（TB-LMTO）方法进行。彻底分析晶体轨道汉密尔顿人口（COHP）曲线证明了SB3-SB3键的抗氢化特性诱导了方形SB-4位点的观察到的缺陷。对三个标题化合物，Ca10.59（4）DY0.41SB9.71（1），CA10.61（3）HO0.39SB9.69（1）和CA10.64（3）ER0.36SB9进行磁性测量。 73（1），表明RE元件在相对低温下的反铁磁性（AFM）相互作用，分别具有-2.24，-2.80和-2.98k的顺磁居里温度。

著录项

  • 来源
    《Crystal growth & design》 |2020年第7期|共9页
  • 作者

    Lee Junsu; Sa Hayeon; Jo Hongil; Moon Dohyun; Ok Kang Min; You Tae-Soo;

  • 作者单位

    Chungbuk Natl Univ Dept Chem Cheongju 28644 Chungbuk South Korea;

    Chungbuk Natl Univ Dept Chem Cheongju 28644 Chungbuk South Korea;

    Sogang Univ Dept Chem Seoul 04107 South Korea;

    Pohang Accelerator Lab Beamline Dept Pohang 37673 Gyeongbuk South Korea;

    Sogang Univ Dept Chem Seoul 04107 South Korea;

    Chungbuk Natl Univ Dept Chem Cheongju 28644 Chungbuk South Korea;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 晶体学;
  • 关键词

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号