First-Principles Analysis on Structural Transition in BaNi2As2 Superconductor
Wasim Raja Mondal, and Swapan K. Pati
TL;DR
This study uses first-principles calculations to analyze the structural phase transition in BaNi2As2 superconductor under phosphorus doping, successfully reproducing and explaining experimental observations.
Contribution
It provides a detailed first-principles analysis of the structural transition in BaNi2As2 with phosphorus doping, offering insights into its phase behavior.
Findings
Reproduces experimental phase transition data
Explains experimental observations of structural changes
Provides theoretical insights into doping effects
Abstract
We have studied structural phase transition in BaNi2As2 superconductor with the application of Phosphorous doping based on first principles calculations. Our results reproduce experimental findings and explain some of the experimental observations.
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Taxonomy
TopicsIron-based superconductors research · Rare-earth and actinide compounds · Intellectual Capital and Performance Analysis