Effect of short-range order on the electronic structure and optical properties of the CuZn alloy : an augmented space approach

Abstract

In this work we have combined the generalized augmented space method introduced by one of us with the recursion method of Haydock et al (GASR), within the framework of the local density functional based linear muffin-tin orbitals basis (TB-LMTO). Using this we have studied the effect of short-range ordering and clustering on the density of states, optical conductivity and reflectivity of 50-50 CuZn alloys. Our results are in good agreement with alternative techniques. We argue that the TB-LMTO-GASR is a feasible, efficient and quantitatively accurate computational technique for the study of environmental effects in disordered binary alloys.

11 pages 11 figures

References in corpus (10)

• Screened Coulomb interactions in metallic alloys: I. Universal screening in the atomic sphere approximation
• Systematic and Causal Corrections to the Coherent Potential Approximation
• The Korringa-Kohn-Rostoker Non-Local Coherent Potential Approximation (KKR-NLCPA)
• Phonons in random alloys: the itinerant coherent-potential approximation
• Effects of short-range order on the electronic structure of disordered metallic systems
• Magnetic properties of X-Pt (X=Fe,Co,Ni) alloy systems
• Vibrational properties of phonons in random binary alloys: An augmented space recursive technique in the k-representation
• Local Charge Excesses in Metallic Alloys: a Local Field Coherent Potential Approximation Theory
• Optical properties of random alloys : Application to Cu_{50}Au_{50} and Ni_{50}Pt_{50}
• Optical conductivity in disordered alloys : an approach via the augmented space recursion

Cited by in corpus (6)

• A review of the optical properties of alloys and intermetallics for plasmonics
• Theory of electronic transport in random alloys with short-range order: Korringa-Kohn-Rostoker non-local coherent potential approximation
• Accurate evaluation of the Green's function of disordered graphenes
• Coarse Grained Density Functional Theories for Metallic Alloys: Generalized Coherent Potential Approximations and Charge Excess Functional Theory
• Effect of disorder on the electronic properties of graphene: a theoretical approach
• Coarse grained Density Functional theory of order-disorder phase transitions in metallic alloys