Image de couverture de livre

High-Pressure DFT Study of BeX (X = S, Se, Te): Phonon Spectra, Optical Properties, and Thermodynamic Stability for Advanced Optoelectronic Applications

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Shahzad, Muhammad, Azam, Sikander, Ahmad, Syed Awais, Li, Ming
Format:	Preprint
Publié:	2025
Sujets:	Materials Science Computational Physics
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Exploring Chalcogen Influence on Sc2BeX4 (X = S, Se) for Green Energy Applications Using DFT
par: Ali, Ahmad, et autres
Publié: (2025)

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

Tailoring the Optoelectronic, Photocatalytic, Thermoelectric and Thermodynamic Properties of Halides Li2InBiX6 (X = Cl, Br, I) for Energy Conversion: A DFT Study
par: Alburaih, Huda A., et autres
Publié: (2026)

Exploring the Electronic, Thermoelectric, and Optical Properties of AsRhX (X = S, Se, Te) Materials for Energy Conversion Applications
par: Faiq Umar, et autres
Publié: (2026)

Illuminating Stability and Spectral Shifts: A DFT+U Study of Eu-Doped ZnWO$_4$ for Visible-Light Optoelectronics
par: Tayyab, Muhammad, et autres
Publié: (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
par: Issam El Bakkali, et autres
Publié: (2025)

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

Hexagonal BeX (X: S, Te) monolayer as potential electrode material for alkali metal-ion batteries: A DFT perspective
par: Jadav, Hetvi, et autres
Publié: (2025)

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

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
par: Mehvish Fatima, et autres
Publié: (2025)

Comprehensive DFT Study of Structural, Mechanical, Dynamical, Electronic, and Optical Properties of ZnX ( X = S, Se, Te) Semiconductors
par: N. Y. Tanisa, et autres
Publié: (2026)

Vanadium-Engineered Co2NiSe4 Nanomaterial: Coupled Thermoelectric, Piezoelectric, and Electronic Optimization via DFT+U for Advanced Energy Applications
par: Riaz, Ayesha, et autres
Publié: (2025)

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
par: Md. Bayjid Hossain Parosh, et autres
Publié: (2025)

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

Rare-Earth Engineering of NaAlO3 Perovskites Unlocks Unified Optoelectronic, Thermoelectric, and Spintronic Functionalities
par: Imran, Muhammad, et autres
Publié: (2025)

Band Structure Engineering, Optical, Transport, and Photocatalytic Properties of Pristine and Doped Nb3O7(OH): A Systematic DFT Study
par: Khan, Wilayat, et autres
Publié: (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
par: Mushfique Azad Takin, et autres
Publié: (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
par: Ali Yaqoob, et autres
Publié: (2025)

Effect of Annealing Temperature on the Structural, Morphological, and Optical Properties of CdSeTe Nanoparticles for Optoelectronic Applications
par: Vanthini Nelson Adoons, et autres
Publié: (2026)

A First Principles Study of Structural, Mechanical, Phonon, Optoelectronic, and Thermoelectric Properties of MnX 2 O 4 (X = Al, Cr) Spinels for Photovoltaic and Thermoelectric Applications
par: Muhammad Asim Kamran, et autres
Publié: (2025)

Structural, Elastic, and Thermodynamic Properties of MgSc 2 X 4 (X = S, Se) Under High Pressure From First Principles
par: Teng‐Xiao Wang, et autres
Publié: (2025)

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

Investigate Pressure Dependent Electronic, Optical, and Thermoelectric Properties of MgLu 2 X 4 (X = S, Se) Through FP ‐ APW +lo
par: Muhammad Saeed, et autres
Publié: (2026)

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

Investigation of the Optoelectronic, γ‐Attenuation, and Thermodynamic Properties of Novel MnGa2P3H4NO14 for Energy Applications: A DFT Study
par: Muhammad Irfan, et autres
Publié: (2024)

Advances in PbX (X = S, Se, Te) Quantum‐Dot Photodetectors
par: Bohan Li, et autres
Publié: (2025)

Unravelling Optoelectronic and Transport Properties in RuZrX (X=Si, Ge) Alloys: Insights from DFT
par: Bharti Gurunani, et autres
Publié: (2024)

Revealing the Electrical and Optical Response of Au Adsorption on SnC Monolayer: An Ab‐Initio Study
par: Qaiser Rafiq, et autres
Publié: (2025)

DFT‐Based Insights Into Elastic, Thermophysical, Electronic, and Optical Properties of Topological Insulators XTe 5 (X = Zr, Hf)
par: Syed Shovon Mahbub Mahin, et autres
Publié: (2025)

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

First Principle Investigations of Cesium Based Cubic CsSiX3 (X = Cl and F) Perovskites for Solar Conversion Applications: A DFT Study
par: Muhammad Khuram Shahzad, et autres
Publié: (2024)

First Principles Study of Electronic, Vibrational, Elastic, and Thermodynamic Properties of Sc‐X (X = P, S, Se) Compounds
par: S. K. Yadav, et autres
Publié: (2025)

Correction to First‐Principles Calculations to Investigate the Ground State, Mechanical Stability, Electronic Structure, and Optical Properties of Tl 2 SnX 3 (X = S, Se, Te)
Publié: (2024)

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

Designing Advanced LiTiXY (X, Y = O, S, Se, and Te) via DFT Engineering: Chalcogen Substitution Incorporation
par: Zahra Safari, et autres
Publié: (2026)

Investigating the Optoelectronic Properties of 2‐D and 3‐D CaTi1−xCuxO3 as a Phosphor Materials: A Density Functional Theory Approach
par: Naqash H. Malik, et autres
Publié: (2024)

Synthesis, Characterization, and DFT Insights into Non‐linear Optical Properties of Ethoxysalicylaldehyde Thiosemicarbazone Derivatives
par: Rifat Jawaria, et autres
Publié: (2025)

Stability and Optoelectronic Properties of Alkali–Magnesium Trihalide Perovskites FrMgX 3
par: Nusrat Jahan Nisha, et autres
Publié: (2026)

A Review on the Recent Progress of Two‐Dimensional (2D) MXenes and Graphene‐Based Anode Materials for Advanced Sodium‐Ion Batteries
par: Laraib Kiran, et autres
Publié: (2026)

Evaluation of Electronic, Optoelectronic, and Nonlinear Optical Responses in Functionalized Pyrazine Chromophores: A Density Functional Theory Study
par: Iram Irshad, et autres
Publié: (2026)