Impact of Calcium Doping on the Electronic and Optical Characteristics of Strontium Hydride (SrH<sub>2</sub>): A DFT Study

Impact of Calcium Doping on the Electronic and Optical Characteristics of Strontium Hydride (SrH<sub>2</sub>): A DFT Study

This study investigates the electronic and optical properties of calcium-doped strontium hydride (SrH<sub>2</sub>) using first-principles density functional theory (DFT) calculations via the CASTEP code with generalized gradient approximation (GGA). We explore the impact of calcium (Ca)...

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Bibliographic Details
Main Authors: Hamza Errahoui, Mohamed Karouchi, Abdelkebir Ejjabli, Aymane El haji, Abdelmounaim Laassouli, Omar Ait El Alia, Salah Chaji, Youssef Lachtioui, Omar Bajjou
Format: Article
Language:English
Published: MDPI AG 2024-10-01
Series:Atoms
Subjects:
CASTEP code
DFT calculations
strontium hydride
optoelectronic properties
density of states
band gap
Online Access:https://www.mdpi.com/2218-2004/12/11/55
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