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Sr2CrOsO6: End point of a spin-polarized metal-insulator transition by 5d band filling
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2007 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 75, no 2, 020404- p.Article in journal (Refereed) Published
Abstract [en]

In the search for new spintronic materials with high spin polarization at room temperature, we have synthesized an osmium-based double perovskite with a Curie temperature of 725 K. Our combined experimental results confirm the existence of a sizable induced magnetic moment at the Os site, supported by band-structure calculations, in agreement with a proposed kinetic-energy-driven mechanism of ferrimagnetism in these compounds. The intriguing property of Sr2 CrOs O6 is that it is at the end point of a metal-insulator transition due to 5d band filling and at the same time ferrimagnetism and high-spin polarization are preserved.

Place, publisher, year, edition, pages
2007. Vol. 75, no 2, 020404- p.
Keyword [en]
strontium compounds, chromium compounds, ferrimagnetic materials, spin polarised transport, metal-insulator transition, magnetic moments
National Category
Physical Sciences
URN: urn:nbn:se:uu:diva-98063DOI: 10.1103/PhysRevB.75.020404ISI: 000243895100008OAI: oai:DiVA.org:uu-98063DiVA: diva2:173232
Available from: 2009-02-12 Created: 2009-02-12 Last updated: 2012-04-01Bibliographically approved
In thesis
1. Distorted Space and Multipoles in Electronic Structure Calculations
Open this publication in new window or tab >>Distorted Space and Multipoles in Electronic Structure Calculations
2009 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

This thesis concerns methods for electronic structure calculations and some applications of the methods.

The augmented planewave (APW) basis set and it’s relatives LAPW (linearised APW) and APW+lo (local orbitals) have been widely used for electronic structure calculations. Here a modification of the APW basis set based on a transformation of the basis functions from a curvilinear coordinate system. Applications to a few test systems show that the modified basis set may speed up electronic structure calculations of sparse systems.

The local density approximation (LDA) is used in density functional theory. Although it is the simplest possible approximation possible for the unknown exchange-correlation energy functional, it has proven to give quite accurate results for a wide range of systems. LDA fails in systems where the non-local effects are important. By including non-local effects by adding an orbital dependent term to the energy functional, through for example the LDA+U method, the calculated properties of many materials are closer to experimental observations. In the thesis the most general formulation of the LDA+U method is presented and a new way of interpreting the results of a calculations by formulating the orbital dependent part of the energy functional in terms of multipole momentum tensors. Applications to some early actinide systems leads to a reformulations of Hund’s rules for polarisations associated with the spin and orbital magnetic moment and a suggestion for similar rules, Katt’s rules, valid in the strong spin orbit coupling regime.

Place, publisher, year, edition, pages
Uppsala: Universitetsbiblioteket, 2009. 64 p.
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 601
Physics, materials science, condensed matter theory, density functional theory, Magnetism
National Category
Atom and Molecular Physics and Optics
urn:nbn:se:uu:diva-9553 (URN)978-91-554-7407-2 (ISBN)
Public defence
2009-03-06, Å80101, Ångsträmlaboratoriet, Lägerhyddsv. 1, Uppsala, 10:15 (English)
Available from: 2009-02-12 Created: 2009-02-12 Last updated: 2009-05-28Bibliographically approved

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Delin, Anna
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