Theory of electronic transport in random alloys with short-range order: Korringa-Kohn-Rostoker nonlocal coherent potential approximation
PR Tulip, JB Staunton, S Lowitzer, D Koedderitzsch… - Physical Review B …, 2008 - APS
We present an ab initio formalism for the calculation of transport properties in
compositionally disordered systems within the framework of the Korringa-Kohn-Rostoker …
compositionally disordered systems within the framework of the Korringa-Kohn-Rostoker …
[LIBRO][B] Electronic structure of materials
R Prasad - 2013 - books.google.com
Most textbooks in the field are either too advanced for students or don't adequately cover
current research topics. Bridging this gap, Electronic Structure of Materials helps advanced …
current research topics. Bridging this gap, Electronic Structure of Materials helps advanced …
Effects of short-range order on the electronic structure of disordered metallic systems
For many years the Korringa-Kohn-Rostoker coherent-potential approximation (KKR-CPA)
has been widely used to describe the electronic structure of disordered systems based upon …
has been widely used to describe the electronic structure of disordered systems based upon …
Short-range correlations in disordered systems: nonlocal coherent-potential approximation
DA Rowlands - Reports on Progress in Physics, 2009 - iopscience.iop.org
Progress has recently been made within the effective medium approach to describing
substitutionally disordered systems through the development of the nonlocal coherent …
substitutionally disordered systems through the development of the nonlocal coherent …
Magnetic properties of X–Pt (X= Fe, Co, Ni) alloy systems
We have studied the electronic and magnetic properties of Fe–Pt, Co–Pt and Ni–Pt alloy
systems in ordered and disordered phases. The influence of various exchange–correlation …
systems in ordered and disordered phases. The influence of various exchange–correlation …
Systematic, multisite short-range-order corrections to the electronic structure of disordered alloys from first principles: The KKR nonlocal CPA from the dynamical …
Although the Korringa-Kohn-Rostoker coherent-potential approximation (KKR-CPA) is used
widely to configurationally average and get electronic structures and energies of disordered …
widely to configurationally average and get electronic structures and energies of disordered …
Augmented-space recursive method for the study of short-ranged ordering effects in binary alloys
We propose a combination of the generalized augmented-space theorem and the recursion
method of Haydock et al. to study short-ranged ordering effects in binary alloys. We apply …
method of Haydock et al. to study short-ranged ordering effects in binary alloys. We apply …
Coherent potential approximation for spatially correlated disorder
R Zimmermann, C Schindler - Physical Review B—Condensed Matter and …, 2009 - APS
The coherent-potential approximation (CPA) is extended to describe satisfactorily the motion
of particles in a random potential which is spatially correlated and smoothly varying. In …
of particles in a random potential which is spatially correlated and smoothly varying. In …
Phonons in disordered alloys: Comparison between augmented-space-based approximations for configuration averaging to integration from first principles
A first principles density functional based linear response theory (the so-called density
functional perturbation theory [Baroni, Rev. Mod. Phys. 73, 515 (2001)] has been combined …
functional perturbation theory [Baroni, Rev. Mod. Phys. 73, 515 (2001)] has been combined …
The effects of local lattice distortion in non-isochoric alloys: CuPd and CuBe
The effects of local lattice distortion in non- isochoric alloys: CuPd and CuBe Page 1 Journal of
Physics: Condensed Matter The effects of local lattice distortion in nonisochoric alloys: CuPd …
Physics: Condensed Matter The effects of local lattice distortion in nonisochoric alloys: CuPd …