Tuning the thermoelectric and optoelectronic attributes of lead-free novel fluoroperovskites Cs2BB'F6 (B= Rb, In, Na and B'= Ir, As, Rh): A first-principles investigation
Cesium-based double perovskite materials have generated significant interest because of
their fascinating prospects in various optoelectronic and thermoelectric uses. In this …
their fascinating prospects in various optoelectronic and thermoelectric uses. In this …
Thermodynamic, electronic, magnetic, thermoelectric, and optical properties of full Heuslers compounds Co2TiAl(Ga, In): A First principles study
In this study, we investigated the thermodynamic, band structure, density of states, magnetic,
thermoelectric and optical properties of Co2TiAl, Co2TiGa, and Co2TiIn full Heuslers in the …
thermoelectric and optical properties of Co2TiAl, Co2TiGa, and Co2TiIn full Heuslers in the …
Theoretical insights into the structural, optoelectronic, thermoelectric, and thermodynamic behavior of novel quaternary LiZrCoX (X= Ge, Sn) compounds based on first …
M Kumari, JA Abraham, R Sharma, D Behera… - RSC …, 2023 - pubs.rsc.org
The structural, magnetic, electronic, elastic, vibrational, optical, thermodynamic as well as
thermoelectric properties of newly predicted quaternary LiZrCoX (X= Ge, Sn) Heusler …
thermoelectric properties of newly predicted quaternary LiZrCoX (X= Ge, Sn) Heusler …
First-principles calculations of electronic, magnetic, mechanical and thermoelectric properties of tetragonal Mn2PtSn-Ferromagnetic phase: Ab initio calculations
We present structural, electronic, magnetic, elastic and transport properties of tetragonal
Mn2PtSn (MPS) bulk material in stannite (ST) phase, we will use a FP-LAPW method based …
Mn2PtSn (MPS) bulk material in stannite (ST) phase, we will use a FP-LAPW method based …
Efficient thermoelectric properties and high UV absorption of stable zinc-doped all-inorganic perovskite for BIPV applications in multiple scenarios
S Wang, C Chen, Z Zhang, Y Cai, Y Zhang, S Gao… - Solar Energy, 2024 - Elsevier
The widespread adoption of building integrated photovoltaics (BIPV) is vital in the transition
from carbon-based energy systems to renewable energy. Traditional photovoltaic modules …
from carbon-based energy systems to renewable energy. Traditional photovoltaic modules …
[HTML][HTML] An ab initio study to investigate the physical properties of CsEuX3 (X= Cl, Br, and I) using different Exchange-Correlation potentials
Several exchange–correlation potentials within the framework of Density Functional Theory
(DFT) were used to study the structural, electronic, magnetic, optical, and thermoelectric …
(DFT) were used to study the structural, electronic, magnetic, optical, and thermoelectric …
Role of 4d electrons in room temperature ferromagnetism, and thermoelectric properties of Sr2CrXO6 (X= Nb, Mo) for spintronic applications
The spintronic is an emerging technology which controls the properties of multifactional
devices with spin of electrons. In present manuscript, Wien2k and Boltz Trap codes are used …
devices with spin of electrons. In present manuscript, Wien2k and Boltz Trap codes are used …
[HTML][HTML] Unveiling the DFT perspectives on structural, elastic, electronic, optical and thermal properties of XMn2As2 (X= Ca, Sr)
A comprehensive first-principles investigation of XMn 2 As 2 (X= Ca, Sr) materials using
Density Functional Theory (DFT) have used in this study. Variety of physical attributes …
Density Functional Theory (DFT) have used in this study. Variety of physical attributes …
Study of structural, elastic, electronic, optical and magnetic properties of Heusler Mn2NiAl: Ab initio calculations
In this paper, we will investigate the structural, electronic, mechanical, magnetic and optical
properties of Heusler Mn2NiAl (MNA) compound using the Perdew–Burke–Ernzerhof …
properties of Heusler Mn2NiAl (MNA) compound using the Perdew–Burke–Ernzerhof …
Comparative study of magnetic stability, electronic, optical, thermoelectric and thermal properties of Co2FeSn and Fe2CoSn full Heusler alloys from first principles …
We give an account the ab-initio calculations of the Co 2 FeSn and Fe 2 CoSn compounds.
The studied Heusler systems are stable in ferromagnetic nature. The obtained elastic …
The studied Heusler systems are stable in ferromagnetic nature. The obtained elastic …