Synapse
⌘+K
Synapse
PulseExploreClubsResearchersJournals
Instagram
HomeClubsExplore
July 8, 2026Journal of Materials Science Materials TheoryOpen Access

Composition-tuned multifunctionality in Rb₂AgXCl₆ (X = Ti, Sb, In) double perovskites: a first-principles study

View Full Paper
Ask AI
Bookmark
Share

Authors

AKAman KumarAKAman KumarAKAmit Kumar

Discussion

Loading...

Member takes

Overview

First-principles analysis evaluates multifunctional properties in Rb₂AgXCl₆ compounds, suggesting potential for advanced technology.

Key Points

  • This research aims to explore the multifunctional properties of Rb₂AgXCl₆ halide double perovskites using first-principles calculations.
  • Utilized density functional theory to analyze elastic constants and band structure.
  • Assessed optoelectronic characteristics including absorption, reflectance, and thermoelectric transport parameters.
  • Evaluated structural integrity through geometrical relaxation of cubic phases.
  • Elastic constants indicated mechanical robustness and ductility.
  • Band gaps ranged from 1.84 to 2.18 eV, suitable for visible light applications.
  • Indium variant shows promising light-emitting potential and efficient thermoelectric properties.

Cite This Study

Kumar et al. (2026) studied this question.

synapsesocial.com/papers/6a4dea28d2ea289ef6284068https://doi.org/10.1186/s41313-026-00081-9
View Full Paper
Ask AI
Bookmark
Share

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Exploration of Lead-Free Rb₂InGeX₆ Double Perovskites: Correlating Halide Substitution with Electronic, Optical, and Thermoelectric Performance2025 · 3 citations
  2. 2First-Principles Insights into the Structural, Electronic, Optical, and Thermoelectric Properties of Novel Halide Double Perovskites Rb2InCuX6 (X = F, Cl, Br)2026 · 1 citations
  3. 3Metallic and optoelectronic properties of Rb <sub>2</sub> AgSnX <sub>6</sub> (X=Cl, Br, I) double perovskites for photonic and transparent conductor applications: A DFT study2025 · 4 citations
  4. 4Optoelectronic and thermoelectric analysis of halide stable double perovskite Rb2TlSbX6 (X = Cl, Br, I) via DFT calculations2024 · 39 citations
  5. 5Structural, Elastic, Optoelectronic, and Thermoelectronic Properties of Pb‐Free Silver Double Perovskites Rb <sub>2</sub> AgXBr <sub>6</sub> (X = Bi and Sb) for Advanced Photoelectronic Applications2026 · 2 citations