https://github.com/santoshkumarradha/pseudo-spin-perovskite

Calculating the pseudo spin phase transition in metal halide perovskites
https://github.com/santoshkumarradha/pseudo-spin-perovskite

condensed-matter-theory julia material-science monte-carlo perovskite perovskite-solar-cells physics scientific-computing solar-cells solar-physics

Last synced: 27 days ago
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Calculating the pseudo spin phase transition in metal halide perovskites

• Host: GitHub
• URL: https://github.com/santoshkumarradha/pseudo-spin-perovskite
• Owner: santoshkumarradha
• Created: 2020-05-18T16:38:55.000Z (over 4 years ago)
• Default Branch: master
• Last Pushed: 2020-10-05T18:28:12.000Z (about 4 years ago)
• Last Synced: 2024-10-18T23:19:50.746Z (3 months ago)
• Topics: condensed-matter-theory, julia, material-science, monte-carlo, perovskite, perovskite-solar-cells, physics, scientific-computing, solar-cells, solar-physics
• Language: Julia
• Homepage:
• Size: 33.8 MB
• Stars: 1
• Watchers: 2
• Forks: 2
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

        
# Quantum Monte-Carlo Pseudo Spin phase transition in metal halide perovskites

Very early commit on an ongoing project.

Blog posts about the progress can be read at

Part 1 - http://www.santoshkumarradha.me/blog/2020/julia-MC/

Part 2 - http://www.santoshkumarradha.me/blog/2020/julia-MC2/

### Things to do

1. Memory and speed test with system size

2. Fit coupling parameter to real DFT energies

3. ~MC steps (at T = 0K)~

AFM and FM sollution





4. ~Periodic boundary conditions~ 



5. ~rotation of tetrahedrons~ 



6. ~Nearest Neighbor Dipole and Bonding term caculation~