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Identifier

uch.physics.phd//1998zaxarioudakis

Title

Η τετραγωνική προσέγγιση της KKR θεωρίας και η εφαρμογή της στη μελέτη μετάλλων με προσμείξεις

Alternative Title

The implementation of the quadratic approximation of the theory of Korringa - Kohn - Rostoker in the study of substitutional impurities in metals

Author

Ζαχαριουδάκης, Δημήτρης

Thesis advisor

Οικονόμου, Ελευθέριος

Abstract

The quadratic approximation of the method of Korringa-Kohn-Rostoker (KKR), known as the Quadratic KKR (QKKR),is used to study substitutional impurities in metals.We have proved the advantages of our method with the following aplications. a) We calculated the charge transfer from a substitutional impuring of type 3d or 4d in a metal of type 3d.Our results are in excellent agreement with published results of other mehods. b) We calculated the binding energy of 2s electrons in transition atoms of type 3d as well as the shift in this energy which is obserred when such an atom is taken from its free atom state to the metalic state. Our results are in very good agreement with experiment. c) We calculated the solution energy of various atoms in transition metals for systems with small charge transfer.

Language

Greek

Issue date

1998-01-01

Date available

1998-04-5

Collection

School/Department--School of Sciences and Engineering--Department of Physics--Doctoral theses

Type of Work--Doctoral theses

Permanent Link

https://elocus.lib.uoc.gr//dlib/c/b/2/metadata-dlib-1998zaxarioudakis.tkl