Structural, electronic, optical, mechanical, and phononic bulk properties of tetragonal trirutile antimonate MSb2O6 (M= Fe, Co, Ni, or Zn): a first-principles prediction for …

R Charif, R Makhloufi, SC Mouna, A Chadli… - Physica …, 2024 - iopscience.iop.org
This work does an extensive analysis of the optoelectronic and mechanical properties of the
tri rutile structure type 3d transition metal Antimonate MSb 2 O 6 (M= Fe, Co, Ni, or Zn), for …

Ab initio study including spin–orbit coupling of the electronic band structure and magnetic properties of h-HoMnO3

A Chadli, B Lagoun, L Aissani, Y Berhail… - Indian Journal of …, 2022 - Springer
A theoretical investigation of the structural, electronic, magnetic, and magneto-elastic
properties is provided for the non-perovskite HoMnO3 in low symmetry. This study has been …

Study on the Electronic Structure and Optical Properties of Nd-Incorporated Mg2Si by First Principles

A He, Q Xiao, M Qin, A Wang, Q Xie - Journal of Electronic Materials, 2021 - Springer
The electronic structures and optical properties of intrinsic Mg2Si and Nd-incorporated
Mg2Si were studied by first principles. The result demonstrates that the Fermi energy level of …

Photoelectric Modification of La-and Er-Doped Mg2si Semiconductors with High Absorption Coefficients in the Infrared and Ultraviolet Regions

J Ye, Q Xiao, A Wang, A He, R Zhang, K Ning… - Available at SSRN … - papers.ssrn.com
Experiments have shown that Mg2Si is a natural and abundant environmental
semiconductor, and is one of the ideal materials for photodetectors, but its comprehensive …

[PDF][PDF] Etude par DFT des propriétés structurale, électronique et magnétique de la pérovskite YFeO3

BL ZEKRI Ammar - archives.univ-biskra.dz
Actuellement on peut fabriquer des matériaux avec des nouvelles propriétés qui ne se
trouvent pas dans la nature, donc il s' agit de décrire des matériaux par des modèles …