Augmented space recursion code and application in simple binary metallic alloy

Abstract

We present here an optimized and parallelized version of the augmented space recursion code for the calculation of the electronic and magnetic properties of bulk disordered alloys, surfaces and interfaces, either flat, corrugated or rough, and random networks. Applications have been made to bulk disordered alloys to benchmark our code.

Publication
IJMPC
Rudra Banerjee
Rudra Banerjee
Assistant Professor, Computational Condensed Matter

Computational physicist exploring energy and quantum materials through DFT, Monte Carlo, and machine learning methods.