二元稀土三碲化物 NdTe3 的结构、弹性、热力学和光电特性的第一性原理详细研究（Adv.）

IF 2.9 4区工程技术 Q1 MULTIDISCIPLINARY SCIENCES

Advanced Theory and Simulations Pub Date : 2024-11-11 DOI:10.1002/adts.202470026

Tanbin Chowdhury, Borak Ur Rahman Rano, Ishtiaque M. Syed, Saleh Hasan Naqib

{"title":"二元稀土三碲化物 NdTe3 的结构、弹性、热力学和光电特性的第一性原理详细研究（Adv.）","authors":"Tanbin Chowdhury, Borak Ur Rahman Rano, Ishtiaque M. Syed, Saleh Hasan Naqib","doi":"10.1002/adts.202470026","DOIUrl":null,"url":null,"abstract":"<p>In article number 2400528, Borak Ur Rahman Rano, Saleh Hasan Naqib, and co-workers explore various bulk properties of a novel Charge Density Wave (CDW) compound using density functional theory. The cover image shows the diamond-shaped Fermi surfaces of NdTe<sub>3</sub>, indicating the CDW phase. The crystal structure is also illustrated. Formulae for an optical function and crystal stability are presented. At the bottom, the Fermi surfaces from a different angle are shown consecutively.\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 11","pages":""},"PeriodicalIF":2.9000,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.202470026","citationCount":"0","resultStr":"{\"title\":\"A Detailed First-Principles Study of the Structural, Elastic, Thermomechanical, and Optoelectronic Properties of Binary Rare-Earth Tritelluride NdTe3 (Adv. Theory Simul. 11/2024)\",\"authors\":\"Tanbin Chowdhury, Borak Ur Rahman Rano, Ishtiaque M. Syed, Saleh Hasan Naqib\",\"doi\":\"10.1002/adts.202470026\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>In article number 2400528, Borak Ur Rahman Rano, Saleh Hasan Naqib, and co-workers explore various bulk properties of a novel Charge Density Wave (CDW) compound using density functional theory. The cover image shows the diamond-shaped Fermi surfaces of NdTe<sub>3</sub>, indicating the CDW phase. The crystal structure is also illustrated. Formulae for an optical function and crystal stability are presented. At the bottom, the Fermi surfaces from a different angle are shown consecutively.\\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 11\",\"pages\":\"\"},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2024-11-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.202470026\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advanced Theory and Simulations\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/adts.202470026\",\"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}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advanced Theory and Simulations","FirstCategoryId":"5","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/adts.202470026","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

摘要

在编号为 2400528 的文章中，Borak Ur Rahman Rano、Saleh Hasan Naqib 及其合作者利用密度泛函理论探索了新型电荷密度波（CDW）化合物的各种体态特性。封面图片显示了 NdTe3 的菱形费米面，表明了 CDW 相。图中还显示了晶体结构。图中给出了光学函数和晶体稳定性的计算公式。底部连续显示了不同角度的费米面。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

A Detailed First-Principles Study of the Structural, Elastic, Thermomechanical, and Optoelectronic Properties of Binary Rare-Earth Tritelluride NdTe3 (Adv. Theory Simul. 11/2024)

查看原文本刊更多论文

A Detailed First-Principles Study of the Structural, Elastic, Thermomechanical, and Optoelectronic Properties of Binary Rare-Earth Tritelluride NdTe3 (Adv. Theory Simul. 11/2024)

In article number 2400528, Borak Ur Rahman Rano, Saleh Hasan Naqib, and co-workers explore various bulk properties of a novel Charge Density Wave (CDW) compound using density functional theory. The cover image shows the diamond-shaped Fermi surfaces of NdTe₃, indicating the CDW phase. The crystal structure is also illustrated. Formulae for an optical function and crystal stability are presented. At the bottom, the Fermi surfaces from a different angle are shown consecutively.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

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