Insights into structural, electronic, optical properties, and impedance spectroscopy of semi-doped perovskite Nd0. 5Ba0. 5CoO3: A theoretical and experimental study

K Souifi, G Raddaoui, M Nasri, J Khelif… - Physica B: Condensed …, 2024 - Elsevier
In this study, the electronic, structural, and optical properties of semi-doped perovskite Nd0.
5Ba0. 5CoO3 (NBCO) were investigate using the CASTEP software, which relies on density …

Structural, electrical, magnetic & optical properties of Nickel, cobalt doped and Co-doped wurtzite GaN: A first-principle investigation

HT Mumu, A Zaman, FH Bhuiyan, RH Aunkon… - Micro and …, 2023 - Elsevier
The structural, electronic, magnetic, and optical properties of Co (6.25%) and Ni (6.25%)
monodoped and co-doped GaN were calculated by the DFT+ U method using a 2× 2× 2 …

First principles insight into magneto-electronic and optical properties of half-metallic-ferromagnetism binary GaN compound for spintronic applications

N Iram, A Dixit, BA Al-Asbahi, R Sharma… - Indian Journal of …, 2024 - Springer
In this paper, we compare pure and doped GaN under spin ferromagnetic and non-magnetic
calculations using the Full Potential Linearized Augmented Plane-wave method and the …

Exploring structural, electronic, optical, and magnetic properties of Os doped and Os-Mn/Ru co-doped GaN

MJI Khan, I Majeed, K Munir, H Ullah, M Asghar… - Optik, 2022 - Elsevier
In current research, we study the effect of Os and Os-Mn/Ru co-doping onto the GaN. We
study the electronic structure, optical, and magnetic properties of these materials. We …

Theoretical study of potential n-type and p-type dopants in GaN from data mining and first-principles calculation

Z Zhao, F Xue, P Zhao, Y Lu… - … Science and Technology, 2022 - iopscience.iop.org
Impurity doping is one of the important means to control the physical properties of intrinsic
semiconductors. By combining data mining and first principles calculation, a series of …

Improving optical properties of wurtzite GaN with C and Fe co-doping: A DFT+ U study

A Zaman, HT Mumu, RH Aunkon… - Journal of Physics …, 2022 - iopscience.iop.org
Abstract Density Functional Theory with Hubbard U parameter (DFT+ U) was used to study
the impact of C (6.25%) and Fe (12.5%) mono-and co-doping on wurtzite GaN, which …

Insights into Structural, Electronic, Optical Properties, and Impedance Spectroscopy of Semi-Doped Perovskite Nd0. 5ba0. 5coo3: A Theoretical and Experimental …

ET Berdimurodov - … , Optical Properties, and Impedance Spectroscopy of … - papers.ssrn.com
This work's purpose is to investigate the electronic, structural, and optical characteristics of
Nd0. 5Ba0. 5CoO3 (NBCO) by the CASTEP software, which is based on density functional …