Electronic structure and magnetic properties of quaternary Heusler alloys CoRhMnZ (Z= Al, Ga, Ge and Si) via first-principle calculations
M Benkabou, H Rached, A Abdellaoui… - Journal of Alloys and …, 2015 - Elsevier
First-principle calculations are performed to predict the electronic structure and elastic and
magnetic properties of CoRhMnZ (Z= Al, Ga, Ge and Si) Heusler alloys. The calculations …
magnetic properties of CoRhMnZ (Z= Al, Ga, Ge and Si) Heusler alloys. The calculations …
Tuning of the electronic bandgap of lead-free double perovskites K2AgBiX6 (X= Cl, Br) for solar cells applications and their thermoelectric characteristics
MW Iqbal, M Manzoor, NA Noor, I Rehman… - Solar Energy, 2022 - Elsevier
Lead-free double-perovskites (DPs) K 2 AgBiX 6 (X= Cl, Br) has been executed as well as
examined by ab-initio computations for solar cell energy sources. Improved and latest Becke …
examined by ab-initio computations for solar cell energy sources. Improved and latest Becke …
The study of new double perovskites K2AgAsX6 (X = Cl, Br) for energy-based applications
MA Ali, RA Alshgari, AA Awadh Bahajjaj… - Journal of Taibah …, 2023 - Taylor & Francis
Halide double perovskites are the best alternative to Pb-halide perovskites. These materials
play an important role in renewable energy generation. Therefore, we explore the physical …
play an important role in renewable energy generation. Therefore, we explore the physical …
A DFT study of structural and electronic properties of cubic thallium based fluoroperovskites TlBF3 (BGe, Sn, Pb, Zn, Cd, Hg, Mg, Ca, Sr, Ba)
RK Pingak - Computational Condensed Matter, 2022 - Elsevier
This study aims to use Density Functional Theory (DFT) to investigate structural and
electronic properties of cubic fluoroperovskites TlBF 3 (B= Ge, Sn, Pb, Zn, Cd, Hg, Mg, Ca …
electronic properties of cubic fluoroperovskites TlBF 3 (B= Ge, Sn, Pb, Zn, Cd, Hg, Mg, Ca …
Structural, mechanical, electronic and magnetic properties of a new series of quaternary Heusler alloys CoFeMnZ (Z= Si, As, Sb): a first-principle study
The structural, mechanical, electronic and magnetic properties of the series of Heusler alloys
CoFeMnZ (Z= Si, As, and Sb) have been investigated theoretically. The objective is to seek …
CoFeMnZ (Z= Si, As, and Sb) have been investigated theoretically. The objective is to seek …
First‐principles study on structural, electronic, elastic, mechanical, thermodynamic, and thermoelectric properties of RbSnX3 (X = F, Cl, and Br) perovskites
We have performed a first‐principles study on structural, electronic, elastic, mechanical,
thermodynamic, and thermoelectric (TE) properties of RbSnX3 (X= F, Cl, and Br) …
thermodynamic, and thermoelectric (TE) properties of RbSnX3 (X= F, Cl, and Br) …
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 …
A first‐principles prediction of thermophysical and thermoelectric performances of SrCeO3 perovskite
P Kumari, V Srivastava, R Khenata… - … Journal of Energy …, 2022 - Wiley Online Library
An ever‐increasing demand for energy due to increasing usage is driving the scientists to
find out materials for their technological applications. In this regard, thermoelectric materials …
find out materials for their technological applications. In this regard, thermoelectric materials …
First principles study of optoelectronic, thermoelectric, and mechanical features of double perovskites K2AgGaZ6 (Z = Cl, Br) for energy harvesting perspectives
A Ayyaz, M Irfan, MB Shakir, H Khan… - Optical and Quantum …, 2024 - Springer
Potassium-based perovskites hold the potential to substantially modify renewable
technology by developing eco-friendly devices. A thorough analysis of structural, electronic …
technology by developing eco-friendly devices. A thorough analysis of structural, electronic …
Understanding and mitigating A-site surface enrichment in Ba-containing perovskites: A combined computational and experimental study of BaFeO 3
BaFeO3-Based perovskites are promising cathode materials for intermediate-temperature
solid oxide fuel cells and protonic ceramic fuel cells due to their high electrocatalytic activity …
solid oxide fuel cells and protonic ceramic fuel cells due to their high electrocatalytic activity …