A Detailed First-Principles Study of the Structural, Elastic, Thermomechanical, and Optoelectronic Properties of Binary Rare-Earth Tritelluride NdTe3 (Adv. Theory Simul. 11/2024)
Tanbin Chowdhury, Borak Ur Rahman Rano, Ishtiaque M. Syed, Saleh Hasan Naqib
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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.
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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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