Cited by Mechanical, Optoelectronic, and Thermoelectric Performance of Li-based Double Perovskites Li2CuSbZ6 (Z = Cl, Br, I): First-Principles Calculations

Computational investigation of CaZnGe and CaZnSn half-heusler compounds: Potential candidates for thermoelectric devices DOI

Saumya Srivastava, Upasana Rani,

Monika Rani

и другие.

Next Materials, Год журнала: 2025, Номер 8, С. 100724 - 100724

Опубликована: Май 16, 2025

Язык: Английский

Процитировано

Exploring the impact of Cl and Br doping on the key physical properties of CsTaO3 for optoelectronic and thermoelectric applications DOI

Shafaat Hussain Mirza,

Naqash Hussain Malik,

Muhammad Jawad

и другие.

Solid State Communications, Год журнала: 2025, Номер unknown, С. 116033 - 116033

Опубликована: Июнь 1, 2025

Язык: Английский

Процитировано

Study of mechanical, thermodynamic, thermoelectric, and optical properties of Cs2SbAuX6 (X = Cl, Br, I) for energy harvesting applications DOI

Tahani I. Al-Muhimeed

Materials Science in Semiconductor Processing, Год журнала: 2024, Номер 178, С. 108443 - 108443

Опубликована: Апрель 22, 2024

Язык: Английский

Процитировано

Insights into the DFT‐computed electronic and optical properties of binary and doped: Selenide for optoelectronic applications DOI

Muhammad Aamer,

Qaiser Rafiq,

Sardar Sikandar Hayat

и другие.

International Journal of Quantum Chemistry, Год журнала: 2024, Номер 124(9)

Опубликована: Май 4, 2024

Abstract This study investigates the alterations in structural, electronic, and optical characteristics of ZnSe 1− x In ( = 0%, 12.5%, 25%) employing framework density functional theory (DFT), utilizing generalized gradient approximation (GGA) conjunction with full‐potential linearized augmented plane wave (FP‐LAPW) approach. The findings reveal that pure exhibits a direct bandgap 1.79 eV at Γ point, which reduces to 0 upon doping Indium, indicating transition metallic characteristics. change is attributed predominant involvement d‐orbital Zn, s‐orbital Se, p‐orbitals Indium valence band materials. Conversely, Zn predominantly contributes conduction undoped ZnSe, whereas d‐orbitals play significant role 25%). Moreover, computes other parameters, including reflectivity, electron energy loss spectrum, extinction coefficient, refractive index, absorption as functions photon energy. A notable observation considerable rise zero‐frequency dielectric constant, ε 1 (0), increases from 5.0 40.0 50.0 Indium‐doped highlighting alteration electronic properties. Furthermore, analyses demonstrate an expansion coefficient extends energies 2.0 pristine begin variants, broadening material's capacity absorb light across wider spectrum energies. infers improved potential, could be particularly beneficial for fabrication light‐emitting modules solar converters. These insights underline influence incorporation exerts on architecture responses offering critical directions advancement optoelectronic devices.

Язык: Английский

Процитировано

Mechanical, Optoelectronic, and Thermoelectric Performance of Li-based Double Perovskites Li2CuSbZ6 (Z = Cl, Br, I): First-Principles Calculations DOI

Bisma Younas, Rabia Zafar, Shahzad Naseem

и другие.

Journal of Inorganic and Organometallic Polymers and Materials, Год журнала: 2024, Номер unknown

Опубликована: Июнь 3, 2024

Язык: Английский

Процитировано