• Corpus ID: 117450969

First-Principles Analysis on Structural Transition in BaNi2As2 Superconductor

  title={First-Principles Analysis on Structural Transition in BaNi2As2 Superconductor},
  author={Wasim Raja Mondal and Swapan K. Pati},
  journal={arXiv: Superconductivity},
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. 


Giant phonon softening and enhancement of superconductivity by phosphorus doping of BaNi2As2.
The data analysis suggests that a doping-induced softening related to an in-plane Ni and As(P) phonon mode is responsible for the enhanced superconductivity in the tetragonal phase.