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Trends and anomalies in 3d transition metal conductivity
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
(English)In: Physical Review LettersArticle in journal (Refereed) Submitted
National Category
Physical Sciences
URN: urn:nbn:se:uu:diva-92560OAI: oai:DiVA.org:uu-92560DiVA: diva2:165687
Available from: 2005-02-10 Created: 2005-02-10 Last updated: 2012-03-28Bibliographically approved
In thesis
1. Electronic Transport in Materials
Open this publication in new window or tab >>Electronic Transport in Materials
2005 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Transport properties within the Boltzmann transport equation for metallic multi-layer structures as well as bulk materials, were the prime topic of this work. Ab initio total energy calculations for Hydrogen loaded metallic multi-layers were performed in order to shed some light onto problem of H depleted layers at the interfaces that have been experimentally observed. It was explained in connection with structural relaxation of the interface layers.

Further on conductivity behavior of Fe/V vs. Mo/V during Hydrogen load was discussed. The difference in, on first sight, rather similar multi-layer structures was explained by the magnitude of Hydrogen induced Vanadium expansion. Problem of variation of conductivity with changed c/a ratio of metals and semiconductors in general was addressed as well. The variations due to change of the Fermi surface of the corresponding materials were observed as well as some intriguing general patterns. The phenomenon could be regarded as piezoresistivity on electronic structure level. For the 3d transition metals variation of conductivity/resistivity through the period was studied.

A possible explanation for anomalous behavior of Manganese resistivity due to its much greater lattice constant in comparison to its neighbors in the period is presented. Field of disordered alloys and low dimensional magnetism was touched by discussing Mo/Ru formation energy as well as magnetic nano-wires grown on surfaces.

All total energy calculations as well as band structure calculations were performed by using Density Functional Theory based numerical computations. A short but comprehensive review of most common linear-response electron transport techniques is given.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2005. x+67 p.
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 8
Physics, Electronic Structure, Ab initio, Condensed Matter Theory, Hydrogen, Boltzmann Transport Equation, Magnetism, Alloys, Fysik
National Category
Physical Sciences
urn:nbn:se:uu:diva-4768 (URN)91-554-6139-5 (ISBN)
Public defence
2005-03-04, Polhemsalen, The Ångström Laboratory, Lägerhyddsvägen 1, Polacksbacken, Uppsala, 10:15
Available from: 2005-02-10 Created: 2005-02-10Bibliographically approved

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