Mayrene A. Uy , Angelo P. Rillera , Keito Shinohara , Melvin John F. Empizo , Toshihiko Shimizu , Kohei Yamanoi , Akira Yoshikawa , Nobuhiko Sarukura , Hitoshi Abe
{"title":"Ce3+ ion-induced distortion in a perovskite-structured KMgF3 single crystal","authors":"Mayrene A. Uy , Angelo P. Rillera , Keito Shinohara , Melvin John F. Empizo , Toshihiko Shimizu , Kohei Yamanoi , Akira Yoshikawa , Nobuhiko Sarukura , Hitoshi Abe","doi":"10.1016/j.jcrysgro.2024.127787","DOIUrl":null,"url":null,"abstract":"<div><p>We investigate the local structural distortion induced by <figure><img></figure> ion in a (cubic) perovskite-structured KMgF<sub>3</sub> crystal for potential vacuum ultraviolet (VUV) applications. The crystal with 1.0 mol% nominal doping concentration exhibits five absorption bands centered at 196, 203, 209, 227, and 233 nm and two emission bands centered at 266 and 282 nm. These absorption and emission bands are attributed to the 4<em>f</em><span><math><mo>−</mo></math></span>5<em>d</em> transitions of the <figure><img></figure> ion. Our Ce <em>K</em>- and <em><figure><img></figure></em>-edge XAS analyses confirm the presence of <figure><img></figure> oxidation state in the KMgF<sub>3</sub> crystal. Our analyses reveal a significantly distorted coordination environment which has a coordination number (CN) of <span><math><mrow><mn>5</mn><mo>.</mo><mn>03</mn><mo>±</mo><mn>0</mn><mo>.</mo><mn>55</mn></mrow></math></span> and an average Ce–F bond length of <span><math><mrow><mn>2</mn><mo>.</mo><mn>44</mn><mo>±</mo><mn>0</mn><mo>.</mo><mn>01</mn></mrow></math></span> Å. Strong mixing of the 4<em>f</em> and 5<em>d</em> states and large ligand-field effects are also implied in the Ce <em><figure><img></figure></em>-edge XANES spectrum, as evidenced by an intense pre-edge peak. Optically, these mixing and ligand field effects conform to the large crystal field splitting of 1.03 eV (8285 <figure><img></figure> ). Although this was the case, <figure><img></figure> -doped KMgF<sub>3</sub> remains a candidate VUV optical material due to its small Stokes shift of 0.64eV (5141 <figure><img></figure> ).</p></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":null,"pages":null},"PeriodicalIF":1.7000,"publicationDate":"2024-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Crystal Growth","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022024824002227","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
We investigate the local structural distortion induced by ion in a (cubic) perovskite-structured KMgF3 crystal for potential vacuum ultraviolet (VUV) applications. The crystal with 1.0 mol% nominal doping concentration exhibits five absorption bands centered at 196, 203, 209, 227, and 233 nm and two emission bands centered at 266 and 282 nm. These absorption and emission bands are attributed to the 4f5d transitions of the ion. Our Ce K- and -edge XAS analyses confirm the presence of oxidation state in the KMgF3 crystal. Our analyses reveal a significantly distorted coordination environment which has a coordination number (CN) of and an average Ce–F bond length of Å. Strong mixing of the 4f and 5d states and large ligand-field effects are also implied in the Ce -edge XANES spectrum, as evidenced by an intense pre-edge peak. Optically, these mixing and ligand field effects conform to the large crystal field splitting of 1.03 eV (8285 ). Although this was the case, -doped KMgF3 remains a candidate VUV optical material due to its small Stokes shift of 0.64eV (5141 ).
期刊介绍:
The journal offers a common reference and publication source for workers engaged in research on the experimental and theoretical aspects of crystal growth and its applications, e.g. in devices. Experimental and theoretical contributions are published in the following fields: theory of nucleation and growth, molecular kinetics and transport phenomena, crystallization in viscous media such as polymers and glasses; crystal growth of metals, minerals, semiconductors, superconductors, magnetics, inorganic, organic and biological substances in bulk or as thin films; molecular beam epitaxy, chemical vapor deposition, growth of III-V and II-VI and other semiconductors; characterization of single crystals by physical and chemical methods; apparatus, instrumentation and techniques for crystal growth, and purification methods; multilayer heterostructures and their characterisation with an emphasis on crystal growth and epitaxial aspects of electronic materials. A special feature of the journal is the periodic inclusion of proceedings of symposia and conferences on relevant aspects of crystal growth.