Cited by Revealing the improved elasto-mechanical, opto-electronic, thermodynamic and thermoelectric properties of double perovskites Rb<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e1399" altimg="si24.svg"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>TlAF<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e1407" altimg="si25.svg"><mml:msub><mml:mrow/><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml…

Theoretical Analysis of Stability, Physical Properties, and Photovoltaic Potential of Sr3SbCl3 Perovskite Across Varying Pressure Conditions via DFT and SCAPS-1D DOI

Md. Azizur Rahman, Avijit Ghosh, Aboud Ahmed Awadh Bahajjaj

и другие.

Journal of Physics and Chemistry of Solids, Год журнала: 2025, Номер unknown, С. 112728 - 112728

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

DFT Insights Into the Structural, Stability, Elastic, and Optoelectronic Characteristics of Na₂LiZF₆ (Z = Ir and Rh) Double Perovskites for Sustainable Energy DOI

Adil Es‐Smairi,

Samah Al‐Qaisi,

N. Sfina

и другие.

Journal of Computational Chemistry, Год журнала: 2025, Номер 46(8)

Опубликована: Март 30, 2025

ABSTRACT Halide perovskites have gained significant attention due to their tunable bandgaps and environmentally friendly properties, making them strong candidates for advanced optoelectronic applications. In this study, we employed the FP‐LAPW method explore structural, electronic, optical properties of Na 2 LiZF 6 (Z = Ir Rh). Our findings confirm stability cubic phase through a Goldschmidt tolerance factor 0.99 negative formation energies −3.34 Ry LiIrF −3.22 LiRhF . Additionally, phonon dispersion analysis verifies dynamic stability. Mechanical indicates that these materials are structurally robust, with bulk moduli 84.21 80.48 GPa, while ductile nature is supported by Pugh's ratios 2.21 2.41, respectively. From an electronic perspective, both compounds exhibit indirect 4.05 3.98 eV, suitable UV Optical studies further reveal absorption, static dielectric constants 1.42 1.50, along refractive indices ( n (0)) 1.19 1.22. These characteristics make Rh) promising next‐generation photodetectors light‐emitting devices.

Язык: Английский

Процитировано

Investigation of the physical characteristics of Ba2AlXO6 (X= V, Nb, Ta) double perovskite oxides for energy conversion applications DOI

Anuradha,

Sunil Kumawat, M.S. Chauhan

и другие.

Materials Today Communications, Год журнала: 2025, Номер 44, С. 112010 - 112010

Опубликована: Фев. 24, 2025

Язык: Английский

Процитировано

DFT study of the novel double perovskite Sr2PrRuO6: structural, electronic, optical, magnetic, and thermoelectric properties DOI

Fatima Zohra Zoulikha Bellahcene,

Kaddour Bencherif, F. Chiker

и другие.

The European Physical Journal B, Год журнала: 2025, Номер 98(3)

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

The Perovskites MSnO3 (M = Mg, Ca): Ab Initio Investigation of Structural, Electronic, Thermodynamic, and Thermoelectric Characteristics DOI

Y. El-harrar,

R. Masrour,

M. Hamedoun

и другие.

Journal of Superconductivity and Novel Magnetism, Год журнала: 2025, Номер 38(2)

Опубликована: Апрель 1, 2025

Язык: Английский

Процитировано

A first-principles investigation of lead-free novel direct band gap double perovskite oxides X2AlBiO6 (X = Mg, Ca, Ba) for … DOI

Akteruzzaman Ashik,

Parartha Biswas,

Mashnon Hasan Fahim

и другие.

Materials Chemistry and Physics, Год журнала: 2025, Номер unknown, С. 130911 - 130911

Опубликована: Май 1, 2025

Язык: Английский

Процитировано

Quantum Insights into Hydrogen Storage and Optoelectronic Performance in Selenadiazoles: A DFT-Driven Approach to Future Innovations DOI

N. M. A. Hadia, M.F. Hasaneen, M. Irfan

и другие.

Brazilian Journal of Physics, Год журнала: 2025, Номер 55(4)

Опубликована: Май 7, 2025

Язык: Английский

Процитировано

Revealing the improved elasto-mechanical, opto-electronic, thermodynamic and thermoelectric properties of double perovskites Rb2TlAF6 DOI

Abu Bakar,

Muhammad Ahmed,

Zhansaya B. Omarova

и другие.

Surfaces and Interfaces, Год журнала: 2025, Номер unknown, С. 106777 - 106777

Опубликована: Июнь 1, 2025

Язык: Английский

Процитировано