First Principle Study via ASR to Observe the Relativistic Effects in FEXPT1-X Disordered Alloys

The Relativistic Effects in FEXPT1-X Disordered Alloys

Abstract

FexPt1-x alloys are promising for spintronic applications, particularly in cases involving relativistic effects and electric and magnetic properties, arising from spin-orbit coupling (SOC). It is very difficult to study the relationship between atomic disorder and relativistic effects in any computational model. Usually, the Coherent Potential Approximation (CPA) is used as a mean field method, with limitations for extreme disorder variations, and it presents material properties. In this task, two methods are combined: The Augmented Space Recursion (ASR) approximation and another first-principles methodology (DFT). The outcome of our research shows that SOC significantly revises the density of states (DOS) in FexPt1-x alloys, leading to dramatic changes in their electronic and magnetic properties. This property also plays a vital role in relativistic phenomena in alloys. For disordered alloy systems, this investigation aims to provide a clear understanding of the relativistic effects and their electric and magnetic properties of FexPt1-x alloys.

Bangladesh Journal of Physics, Vol. 33, Issue 1, pp. 1 – 13, June 2026