Effects of disorder in metallic systems from First-Principles calculations

Effects of disorder in metallic systems from First-Principles calculations

In this thesis, quantum-mechanical calculations within density-functional theory on metallic systems are presented. The overarching goal has been to investigate effects of disorder. In particular, one of the properties investigated is the bindingenergy shifts for core electrons in binary alloys usin...

Full description

Bibliographic Details
Main Author: Asker, Christian
Format: Doctoral Thesis
Language:English
Published: Linköpings universitet, Teoretisk Fysik 2010
Subjects:
Iron
Nickel
Magnesium
Manganese
Molybdenum
Zirconium
Elastic Constants
High pressure
Earth's core
Density-functional theory
Ab-initio
First-Principles
Core-level shifts
Molecular Dynamics
Phonons
Dynamical Instability
Condensed matter physics
Kondenserade materiens fysik
Computational physics
Beräkningsfysik
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-53584
http://nbn-resolving.de/urn:isbn:978-91-7393-445-9

Internet

http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-53584
http://nbn-resolving.de/urn:isbn:978-91-7393-445-9

Similar Items