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

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

引用次数: 0

Abstract

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.

Abstract Image

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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.）

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。

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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