Recent progress of lead-free halide double perovskites for green energy and other applications
M Sk - Applied Physics A, 2022 - Springer
In recent years, the metal halide perovskites (MHPs) have gained substantial interest due to
their versatile applications in the field of the solar cell, Field-Effect Transistor (FET), and Light …
their versatile applications in the field of the solar cell, Field-Effect Transistor (FET), and Light …
[HTML][HTML] A DFT study of structural, magnetic, elastic and optoelectronic properties of lanthanide based XAlO3 (X= Nd, Gd) compounds
Full potential linearized augmented plan wave (FP-LAPW) method based on density
functional theory (DFT) is employed to investigate the structural, optoelectronic, elastic and …
functional theory (DFT) is employed to investigate the structural, optoelectronic, elastic and …
A DFT study of perovskite type halides KBeBr3, RbBeBr3, and CsBeBr3 in triclinic phase for advanced optoelectronic devices
S Hayat, RMA Khalil, MI Hussain, AM Rana… - Solid State …, 2022 - Elsevier
The structural, electronic, magnetic, optical, vibrational, thermodynamic and mechanical
properties of beryllium based perovskite type halides KBeBr 3, RbBeBr 3, and CsBeBr 3 in …
properties of beryllium based perovskite type halides KBeBr 3, RbBeBr 3, and CsBeBr 3 in …
First-principles study of structural, elastic, optoelectronic and thermoelectric properties of B-site-ordered quadruple perovskite Ba4Bi3NaO12
M Khuili, M Bounbaa, N Fazouan… - Journal of Solid State …, 2023 - Elsevier
In this study, we have investigated the properties of a new quadruple type perovskite, Ba 4
Bi 3 NaO 12, with a 3: 1 ratio on the B site using density functional theory and its …
Bi 3 NaO 12, with a 3: 1 ratio on the B site using density functional theory and its …
Semiconductor behavior of halide perovskites AGeX3 (A = K, Rb and Cs; X = F, Cl and Br): first-principles calculations
The structural, elastic and optoelectronic properties for cubic halide perovskites AGeX 3 (A=
K, Rb and Cs, X= F, Cl and Br) have been successfully studied in this paper, using the …
K, Rb and Cs, X= F, Cl and Br) have been successfully studied in this paper, using the …
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 investigation on electronic structure, magnetic, mechanical and thermodynamic properties of SrPuO3 perovskite oxide
SA Dar, V Srivastava, UK Sakalle… - Materials Research …, 2018 - iopscience.iop.org
Theoretical investigation on electronic structural, magnetic, mechanical and thermodynamic
properties of SrPuO 3 perovskite oxide has been accomplished within density functional …
properties of SrPuO 3 perovskite oxide has been accomplished within density functional …
Ab initio study for the structural, electronic, magnetic, optical, and thermoelectric properties of K2OsX6 (X = Cl, Br) compounds
Density‐functional theory based, first‐principles spin‐polarized calculations of the structural,
electronic, magnetic, optical, and thermoelectric characteristics of K2OsX6 (X= Cl, Br) are …
electronic, magnetic, optical, and thermoelectric characteristics of K2OsX6 (X= Cl, Br) are …
Analyzing the physical properties of perovskite oxides BaMO3 (M= Ru, Os) for predicting potential applications
KM Hossain, SK Mitro, MM Rahman, AA Khatun… - Computational …, 2023 - Elsevier
This research provides detailed information about the physical properties of perovskite
oxides BaRuO 3 and BaOsO 3 via the density functional theory. The structural parameters …
oxides BaRuO 3 and BaOsO 3 via the density functional theory. The structural parameters …
First-principles calculations to investigate effect of X+ cations variation on structural, mechanical, electronic and optical properties of the XCdCl3 chloroperovskites
The structural, elastic, mechanical and optoelectronic properties of XCdCl 3 (X= Na, K, Rb
and Cs) chloroperovskites have been investigated by using the Density Functional Theory …
and Cs) chloroperovskites have been investigated by using the Density Functional Theory …