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Ab-initio-Rechnungen und temperaturabhängige Neutronenstreuung an Fluoridkristallen

Schmalzl, Karin (2005) Ab-initio-Rechnungen und temperaturabhängige Neutronenstreuung an Fluoridkristallen. PhD, Universität Regensburg.

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Date of publication of this fulltext: 31 Jan 2005 06:57

Abstract (German)

Sowohl gängige Ab-initio-Methoden als auch Streutechniken wie die Neutronenstreuung eignen sich hervorragend zum Studium dynamischer Eigenschaften in Festkörpern. In dieser Arbeit wurden Dichtefunktionalmethoden und (inelastische) Neutronenstreuung angewandt, um Phononen in Fluoridkristallen zu untersuchen. Die hier betrachteten Systeme sind Fluor-Ionenleiter mit einer sehr hohen Leitfähigkeit, ...

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Translation of the abstract (English)

Established ab-initio methods as well as scattering techniques are an excellent choice to study dynamical properties in solids. In this work density functional and (inelastic) neutron scattering methods have been applied to investigate phonons in fluoride crystals. The systems considered here are fluorine ionic conductors with a high conductivity which is strongly temperature dependent and ...

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Item type:Thesis of the University of Regensburg (PhD)
Date:30 January 2005
Referee:Dieter (Prof. Dr.) Strauch
Date of exam:16 December 2004
Institutions:Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Dieter Strauch
Classification:
NotationType
61.50.AhPACS
63.20PACS
61.12.ExPACS
71.15PACS
78.20.JPACS
Keywords:Ab-initio-Rechnung , Inelastische Neutronenstreuung , Neutronenstreuung , Gitterdynamik , Dichtefunktionalformalismus , Temperaturabhängigkeit , Fluoride , Druckabhängigkeit , Grüneisen-Parameter , volumenabhängige Gitterdynamik , temperaturabhängige Gitterdynamik , ab-initio calculation , neutron scattering , temperature dependent lattice dynamics , fluorides , volume dependence
Dewey Decimal Classification:500 Science > 530 Physics
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:10282
Owner only: item control page

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