{"title":"First-Principles Calculation of Elastic Properties in LixZn1−xO:Nd3+ Mechanoluminescence Material (Adv. Theory Simul. 9/2024)","authors":"Soichiro Kawana, Kenji Hirata, Yuki Fujio, Tomoki Uchiyama, Chao-Nan Xu","doi":"10.1002/adts.202470020","DOIUrl":null,"url":null,"abstract":"<p>Adding Li to ZnO:Nd<sup>3+</sup> based on first-principles calculations reduces the elastic properties such as Young's modulus, bulk modulus, and shear modulus. In the softened Li<sub><i>x</i></sub>Zn<sub>1−<i>x</i></sub>O:Nd<sup>3+</sup> system, the introduction of significant strain energy is expected to improve the mechanoluminescence intensity. For further details of this study, see article number 2400099 by Chao-Nan Xu and co-workers.\n\n <figure>\n <div><picture>\n <source></source></picture><p></p>\n </div>\n </figure></p>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"7 9","pages":""},"PeriodicalIF":2.9000,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.202470020","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advanced Theory and Simulations","FirstCategoryId":"5","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/adts.202470020","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MULTIDISCIPLINARY SCIENCES","Score":null,"Total":0}
引用次数: 0
Abstract
Adding Li to ZnO:Nd3+ based on first-principles calculations reduces the elastic properties such as Young's modulus, bulk modulus, and shear modulus. In the softened LixZn1−xO:Nd3+ system, the introduction of significant strain energy is expected to improve the mechanoluminescence intensity. For further details of this study, see article number 2400099 by Chao-Nan Xu and co-workers.
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Advanced Theory and Simulations is an interdisciplinary, international, English-language journal that publishes high-quality scientific results focusing on the development and application of theoretical methods, modeling and simulation approaches in all natural science and medicine areas, including:
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