A5078841122- Chalcogenide Semiconductor Thin Films
- Heusler alloys: electronic and magnetic properties
- Perovskite Materials and Applications
- 2D Materials and Applications
- Advanced Thermoelectric Materials and Devices
- Magnetic and transport properties of perovskites and related materials
- MXene and MAX Phase Materials
- Solid-state spectroscopy and crystallography
- Optical properties and cooling technologies in crystalline materials
- ZnO doping and properties
- GaN-based semiconductor devices and materials
- Advanced Condensed Matter Physics
- Graphene research and applications
- Ga2O3 and related materials
- Supercapacitor Materials and Fabrication
- Advanced Physical and Chemical Molecular Interactions
- Inorganic Chemistry and Materials
- Gas Sensing Nanomaterials and Sensors
- Magnetic Properties and Synthesis of Ferrites
- Pickering emulsions and particle stabilization
- Advanced Photocatalysis Techniques
- Multiferroics and related materials
- Advanced Battery Materials and Technologies
- Topological Materials and Phenomena
- Thermal Expansion and Ionic Conductivity
Riphah International University
2021-2024
Air University
2018
Based on first-principles calculations, we have computed the optoelectronics and thermoelectric properties of double Perovskite halides Rb2AgSbX6 (X = Cl, Br). Our calculation suggested favorable nature Br) due to lower formation energy. Additionally, explored electronic in terms band structure density states. We find that both Rb2AgSbCl6, Rb2AgSbBr6 possess an indirect gap 2.19 1.56 eV, respectively. Furthermore, absorbs light well visible region with a sharp peaks confirming transition...
The optoelectronic properties and device absorption efficiencies of MoSO MoSSe Janus monolayer have been investigated using the first‐principles calculations. It is revealed that possess a semiconducting behavior with bandgap 1.61 eV (indirect) 2.00 (direct), which ideal for effective light absorption. efficiency family has calculated first time it found this strongest (90%) ranging from infrared to ultraviolet region spectrum. Furthermore, they are an contender top cell in tandem design due...
Based on the First-principles calculations, we have investigated opto-electronic properties of AlGaX2(X = As, Sb). We find that Sb) is energetically stable due to lower formation enthalpy. Additionally, dynamical stability also confirmed by phonon calculation and found no-imaginary frequencies in phonon-spectra. Interestingly, both AlGaAs2 AlGaSb2 compounds possesses semiconductor nature with a direct bandgap 1.40 eV 0.70 eV, respectively. For technological applications Sb), analyzed optical...
Two-dimensional (2D) hetero-phase homojunctions have become increasingly popular in recent years.
In this study, we applied density functional theory to compute the electronic, optical, and thermal properties of MP (M = Li, Na, K). We find that materials under consideration are stable, owing lack negative frequencies in phonon spectra. LiP exhibits an indirect band gap 1.43 eV. NaP KP have direct gaps 1.67 1.76 eV, respectively. The family these composites shows strong absorption, observed by their very sharp absorption edges confirmed transition from valence conduction band. They...
Abstract Based on first-principles calculations, we investigated the electro-optic and thermoelectric properties of SiX (X = P, As). We find that SiP (−0.17 eV/atom) is more favorable than SiAs (−0.12 due to higher formation energies. The dynamical stability calculated from phonon spectra, non-negative frequencies confirms stable nature SiX. Our electronic band gap shows semiconductor SiP, with values 2.33 eV, 2.04 respectively. Interestingly, possesses a direct gap, which could be promising...
Herein, the electronic and magnetic properties of 2D Janus monolayer VSeTe are computed based on first‐principles calculations. The structure stability plays a crucial role in real application for devices; it is found that favors 2H due to non‐negative frequencies phonon spectra. possesses semiconductor nature with bandgap 1.03 eV (0.85 eV) spin‐up (down) channels. Interestingly, shown results moment 1.00 . Additionally, realization anisotropy energy can pave way utilize applications devices.