[HTML][HTML] Understanding the influences of Mg doping on the physical properties of SrMoO3 perovskite
The structural, mechanical, and electronic properties of perovskite molybdates are a topic of
frequent study in materials science. In this study, the influence of Mg doping on the physical …
frequent study in materials science. In this study, the influence of Mg doping on the physical …
First-principles structural, elastic and optoelectronics study of sodium niobate and tantalate perovskites
The intensified quest for efficient materials drives us to study the alkali (Na)-based niobate
(NaNbO3) and tantalate (NaTaO3) perovskites while exploiting the first-principles approach …
(NaNbO3) and tantalate (NaTaO3) perovskites while exploiting the first-principles approach …
Electronic structure and magnetic properties of the perovskites srtmo3 (tm= mn, fe, co, tc, ru, rh, re, os and ir)
Structural, elastic, electronic and magnetic properties of the transition metals based
perovskites SrTMO 3 (TM= Mn, Fe, Co, Tc, Ru, Rh, Re, Os, Ir) are investigated using …
perovskites SrTMO 3 (TM= Mn, Fe, Co, Tc, Ru, Rh, Re, Os, Ir) are investigated using …
First principles calculation to investigate the effect of Mn substitution on Cu site in CeCu 3− x Mn x V 4 O 12 (x= 0, 1, 2 and 3) system
FF Alharbi, S Mehmood, Z Ali, S Aman, RY Khosa… - RSC …, 2023 - pubs.rsc.org
Structural, electronic, elastic and magnetic properties of CeCu3− xMnxV4O12 (x= 0, 1, 2 and
3) system have been carried out through DFT using GGA, GGA+ U and HF potential. The …
3) system have been carried out through DFT using GGA, GGA+ U and HF potential. The …
Magnetic, optoelectronic, and rietveld refined structural properties of Al3+ substituted nanocrystalline Ni-Cu spinel ferrites: An experimental and DFT based study
Abstract The nanocrystalline Ni 0.7 Cu 0.3 Al x Fe 2-x O 4 (x= 0.00: 0.02: 0.10) are prepared
through the sol–gel auto combustion route. The structural, surface morphology, magnetic …
through the sol–gel auto combustion route. The structural, surface morphology, magnetic …
Unveiling the mechanical, structural, thermoelectric, and optoelectronic potential of K2NaGaBr6 and K2RbTlBr6 double perovskites for sustainable technologies
Double perovskite halide's remarkable physical qualities and ease of synthesis have drawn
much interest in the past few years. To analyze the structural and thermodynamic stability …
much interest in the past few years. To analyze the structural and thermodynamic stability …
Combined first principles and Heisenberg model studies of ferrimagnetic Tri-transition quaternary perovskites CaCu3B2Re2O12 (B= Mn, Fe, Co, and Ni)
In this study, density functional theory (DFT) showed that the electronic band profiles of
CaCu 3 B 2 Re 2 O 12 (B= Mn, Fe, Co, and Ni) indicate their half-metallic character. The …
CaCu 3 B 2 Re 2 O 12 (B= Mn, Fe, Co, and Ni) indicate their half-metallic character. The …
A Hypothesis on the Function of High‐Valent Fe in NiFe (Hydr) oxide in the Oxygen‐Evolution Reaction
This study investigated the dynamic changes in NiFe (hydr) oxide and identified the role of
high‐valent Fe in the oxygen‐evolution reaction (OER) within alkaline media via in‐situ …
high‐valent Fe in the oxygen‐evolution reaction (OER) within alkaline media via in‐situ …
DFT study of the spin glass and ferrimagnetism in quadruple perovskites CaCu3B2Ir2O12 (B = Mn, Fe, Co, and Ni) for spintronic applications
S Mehmood, Z Ali - Applied Physics A, 2023 - Springer
Structural properties, electronic band profile along with magnetic ordering of the tri-transition
quaternary perovskites CaCu3B2Ir2O12 (B= Mn, Fe, Co and Ni) are investigated through …
quaternary perovskites CaCu3B2Ir2O12 (B= Mn, Fe, Co and Ni) are investigated through …
Atomic structure and electron magnetic circular dichroism of individual rock salt structure antiphase boundaries in spinel ferrites
Z Li, J Lu, L Jin, J Rusz, V Kocevski… - Advanced functional …, 2021 - Wiley Online Library
Spinel ferrites are an important class of materials, whose magnetic properties are of interest
for industrial applications. The antiphase boundaries (APBs) that are commonly observed in …
for industrial applications. The antiphase boundaries (APBs) that are commonly observed in …