Augmented space recursion code and application in simple binary metallic alloy

DOI10.1142/S0129183110015051MaRDI QIDQ3556899zbMATH OpenFDO

Authors Rudra Banerjee, Abhijit Mookerjee

Publication date 26 April 2010

Published in International Journal of Modern Physics C (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/0908.3532

zbMATH Keywords

disordered systemselectronic structureaugmented space

Mathematics Subject Classification ID

Disordered systems (random Ising models, random Schrödinger operators, etc.) in equilibrium statistical mechanics (82B44) Statistical mechanics of metals (82D35) Statistical mechanics of magnetic materials (82D40)

Abstract: We present here an optimized and parallelized version of the {sl 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.

Recommendations

• An augmented space-based cluster coherent potential approximation: application to CuAu and NiAl alloys
• Fast numerical solution of KKR-CPA equations: Testing new algorithms
• ATAT{\@}WIEN2k: an interface for cluster expansion based on the linearized augmented planewave method
• A parallel/recursive algorithm
• scientific article; zbMATH DE number 953083

Cited in

(1)

• An augmented space-based cluster coherent potential approximation: application to CuAu and NiAl alloys

This page was built for publication: Augmented space recursion code and application in simple binary metallic alloy

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q3556899)