LixZn1-xO:Nd3+ 机械发光材料弹性特性的第一原理计算（Adv.）

IF 2.9 4区工程技术 Q1 MULTIDISCIPLINARY SCIENCES

Advanced Theory and Simulations Pub Date : 2024-09-10 DOI:10.1002/adts.202470020

Soichiro Kawana, Kenji Hirata, Yuki Fujio, Tomoki Uchiyama, Chao-Nan Xu

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引用次数: 0

摘要

根据第一原理计算，在 ZnO:Nd3+ 中添加锂会降低弹性特性，如杨氏模量、体模量和剪切模量。在软化的 LixZn1-xO:Nd3+ 系统中，大量应变能的引入有望提高机械发光强度。有关该研究的更多详情，请参阅 Chao-Nan Xu 及其合作者发表的文章 2400099。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

First-Principles Calculation of Elastic Properties in LixZn1−xO:Nd3+ Mechanoluminescence Material (Adv. Theory Simul. 9/2024)

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First-Principles Calculation of Elastic Properties in LixZn1−xO:Nd3+ Mechanoluminescence Material (Adv. Theory Simul. 9/2024)

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 Li_xZn_1−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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来源期刊

Advanced Theory and Simulations Multidisciplinary-Multidisciplinary

CiteScore

5.50

自引率

3.00%

发文量

221

期刊介绍： 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: materials, chemistry, condensed matter physics engineering, energy life science, biology, medicine atmospheric/environmental science, climate science planetary science, astronomy, cosmology method development, numerical methods, statistics