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Bibliographic Details
Main Authors:	Alburaih, Huda A., Azam, Sikander, Noor, N. A., Laref, A., Mumtaz, Sohail
Format:	Preprint
Published:	2026
Subjects:	Materials Science
Online Access:	https://arxiv.org/abs/2604.08022
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Investigating the Physical Properties of Halide Double Perovskites Cs 2 AuAsX 6 (X = Cl, Br, I) for Solar Energy Conversion and Recycling of Waste Heat Applications
by: Saba Maqsood, et al.
Published: (2025)

High-Pressure DFT Study of BeX (X = S, Se, Te): Phonon Spectra, Optical Properties, and Thermodynamic Stability for Advanced Optoelectronic Applications
by: Shahzad, Muhammad, et al.
Published: (2025)

A Computational Study of the Structural, Optoelectronic, and Thermoelectric Properties of Rb 2 BiAuX 6 ( X = Cl, Br) Halide Double Perovskites
by: Amantay Dalbanbay, et al.
Published: (2025)

Structural, Optoelectronic, Thermoelectric, and Mechanical Properties of Orthorhombic RbAgX (X = S, Se, Te) Chalcogenides: A First‐Principles Study
by: Faiq Umar, et al.
Published: (2026)

Exploring the Electronic, Thermoelectric, and Optical Properties of AsRhX (X = S, Se, Te) Materials for Energy Conversion Applications
by: Faiq Umar, et al.
Published: (2026)

Defect-Engineered Multifunctionality in Cu-Doped Bi2Te2: Interplay of Thermoelectric, Piezoelectric, and Optoelectronic Properties from First-Principles Insights
by: Javed, Muhammad Usman, et al.
Published: (2025)

A DFT Investigation of the Optoelectronic Properties of Sc 3+ ‐Based Halide Li 2 ScCuX 6 (X = F, Cl) Perovskites
by: Asghar Hussain, et al.
Published: (2026)

Exploring Chalcogen Influence on Sc2BeX4 (X = S, Se) for Green Energy Applications Using DFT
by: Ali, Ahmad, et al.
Published: (2025)

Rare-Earth Engineering of NaAlO3 Perovskites Unlocks Unified Optoelectronic, Thermoelectric, and Spintronic Functionalities
by: Imran, Muhammad, et al.
Published: (2025)

Computational Prediction of Structural, Optoelectronic, Thermodynamic, and Thermoelectric Response of the Cubic Perovskite RbTmCl3 via DFT‐mBJ + SOC Studies
by: Ejaz Ahmad Khera, et al.
Published: (2024)

Unveiling the Role of Halide Variation in Ba 3 BiX 3 (X = I, Br, Cl, and F) Perovskites Through First Principle DFT Approach: Tuning the Physical Properties
by: I. K. Gusral Ghosh Apurba, et al.
Published: (2026)

Modulation of electronic and piezoelectric properties of lead-free halide perovskites LiSnX$_3$ (X = Cl, Br, and I) under applied pressure
by: Lalengmawia, Celestine, et al.
Published: (2024)

DFT Investigations of Non‐Toxic Perovskites RbZnX3 (X = F, Cl, and Br): Analyzing the Structural, Electrical, Optical, Mechanical, and Thermodynamic Properties for Suitable Optoelectronic Applications
by: Md. Bayjid Hossain Parosh, et al.
Published: (2025)

Exploring Thermoelectric and Optoelectronic Aspects of Halide Perovskites Ca3${\rm Ca}_3$AX3${\rm AX}_3$ (A= P, As, Sb and X= Cl, Br): A DFT Study
by: Adnan Gul, et al.
Published: (2026)

Designing K 2 ReX 6 (X = Cl, Br) Perovskites for Energy Conversion: A DFT‐Based Study on Structural Stability and Functional Properties
by: Mohamed El Amine El Goutni, et al.
Published: (2025)

Impact of Applied Pressure on Tin‐Based Cubic Halide Perovskite ASnX3 (A = Li, Na and X = Cl, Br, and I) in Reference to Their Optoelectronic Applications
by: M. D. Ratul Hasan, et al.
Published: (2024)

Unveiling Thermal, Phonon, and Optoelectronic Characteristics of Cs 3 O X ( X = Cl, Br, or I) Antiperovskites for Sustainable Energy Applications: A DFT Exploration
by: Rudhro Nil Mondal, et al.
Published: (2026)

Novel Lead‐Free Perovskites FrZnX 3 (X = F, Cl, and Br) for Optoelectronics Applications: A DFT Study
by: Nusrat Jahan Nisha, et al.
Published: (2025)

Comprehensive DFT Study on the Structural, Electronic, Optical, Mechanical, and Thermodynamic Behavior of Lead‐Free AZnX 3 (A = Al, Ag; X = Cl, Br) Perovskites for Optoelectronic Applications
by: Mushfique Azad Takin, et al.
Published: (2025)

Balancing Thermodynamics, Kinetics, and Reversibility in Ti-Doped MgB2H8: A First-Principles Assessment of a Practical Solid-State Hydrogen Storage Material
by: Azam, Sikander, et al.
Published: (2026)

Unveiling the Multifunctional Features of Cs 2 LiMoX 6 (X = Cl and Br) for Green Energy Applications: A DFT Study
by: Ibad Ur Rehman, et al.
Published: (2026)

The Electronic, Optical, and Thermoelectric Nature of Cs 2 InAgX 6 (X = Cl, F) Halide Perovskites: For Advanced Optoelectronic Applications
by: Mohannad Al‐Hmoud, et al.
Published: (2025)

Computational Exploration of Innovative Lead‐Free DPs X2CdZnCl6 (X = Na and K) DFT Analysis of Optoelectronic, Mechanical and Thermoelectric Performance
by: Sonia Chebouki, et al.
Published: (2025)

DFT Study of Physical Properties for A 2 H 3 X (A = Sr, Ba; X = Cl, Br) Compounds: Their Possible Applications for Hydrogen Storage and Optoelectronic Devices
by: Ali Yaqoob, et al.
Published: (2025)

DFT‐Based Investigation of Electronic, Optical, and Thermoelectric Properties of TaCu 3 X 4 (X = S, Se, Te) Chalcogenides for Optoelectronic and Energy Applications
by: Issam El Bakkali, et al.
Published: (2025)

Band Structure Engineering, Optical, Transport, and Photocatalytic Properties of Pristine and Doped Nb3O7(OH): A Systematic DFT Study
by: Khan, Wilayat, et al.
Published: (2025)

Group-I lead oxide X$_2$PbO$_3$ (X=Li, Na, K, Rb, and Cs) glass-like materials for energy applications: A hybrid-DFT study
by: Zosiamliana, R., et al.
Published: (2025)

Domain Walls and Defects in Ferroelectric Inorganic Halide Perovskites CsGeX$_3$ (X = Cl, Br, I)
by: Eggestad, Kristoffer, et al.
Published: (2025)

Vanadium-Engineered Co2NiSe4 Nanomaterial: Coupled Thermoelectric, Piezoelectric, and Electronic Optimization via DFT+U for Advanced Energy Applications
by: Riaz, Ayesha, et al.
Published: (2025)

Effect of Halide Variations on Cation Dynamics in MAPb X 3 ( X = Cl, Br, and I)
by: Veerendra K. Sharma, et al.
Published: (2025)

Apply to the Field of Optoelectronics by Examining Structural, Electronic, Optical, Mechanical, and Thermophysical Properties of FrBeX 3 (X = Cl and Br) Perovskites
by: Nusrat Jahan Nisha, et al.
Published: (2025)

The study of electronic, structural, mechanical, and piezoelectric properties of bulk NbOX2 (X = Cl, Br, and I) using density functional theory
by: Tamang, L. D., et al.
Published: (2025)

A DFT Investigation of Structural, Electronic, Optical, and Mechanical Properties of Lead‐Free Novel InGeX3 (X = Cl, Br, and I) Perovskites for Potential Applications in Multijunctional Solar Cells
by: Md. Amran Sarker, et al.
Published: (2025)

Thermodynamic Phase Stability, Structural, Mechanical, Optoelectronic, and Thermoelectric Properties of the III-V Semiconductor AlSb for Energy Conversion Applications
by: Raufov, Iskandar, et al.
Published: (2025)

Investigation of Two‐Dimensional Ruddlesden–Popper BZA 2 PbX 4 (X = I, Br, and Cl) and Mixed‐Halides BZA 2 PbBr x Cl 4− x Perovskites: Opto‐Electromechanical, Thermodynamic Properties, Moisture, and Strain Effects
by: Seyedeh Bita Saadatmand, et al.
Published: (2024)

Exploring Particular Electronic and Optical Properties of CsLnZnTe3 Compounds (Ln = Dy, Er, ho, and tb), Promising Phosphors for Solar Photovoltaics and Optoelectronics: A Theoretical Study
by: Mehvish Fatima, et al.
Published: (2025)

Potential Energy Curves of Hydrogenic Halides HX(F,Cl,Br) and i-DMFT Method
by: Pilon, H Olivares, et al.
Published: (2026)

Illuminating Stability and Spectral Shifts: A DFT+U Study of Eu-Doped ZnWO$_4$ for Visible-Light Optoelectronics
by: Tayyab, Muhammad, et al.
Published: (2025)

Structural, Mechanical, Electronic, and Optical Properties of CsCdX 3 (X = Cl, Br, and I): A Comparative Study Using First Principle Calculation
by: Md. Al Momin, et al.
Published: (2025)

Rb 2 NaTlX 6 (X = Br, Cl): A Novel, Direct‐Bandgap Double Perovskite with Superior Mechanical, Optical, and Thermoelectric Properties
by: Amel Merrad, et al.
Published: (2025)

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