Published 2011
| Version v1
Journal article
DFT calculation on Fe/ZrO2-Interfaces
Description
Interface structures of the Fe/ZrO2-system are presented. We investigated several possible orientations and configurations by means of density functional theory. Special emphasis was put on mechanical stability, termination of the different interface-structures and magnetic effects. The energetic comparison gives a view on the order of occurrence. As an addition, some experimental data is presented.
Additional details
Identifiers
Publishing Information
- Journal Title
- Verhandlungen der Deutschen Physikalischen Gesellschaft
- Journal Issue
- Dresden 2011 issue
- Series
- Also available as printed version: Verhandlungen der Deutschen Physikalischen Gesellschaft v. 46(1)
- Journal Page Range
- [1 p.]
- ISSN
- 0420-0195
- CODEN
- VDPEAZ
Conference
- Title
- 75. Annual meeting of the DPG and combined DPG Spring meeting of the condensed matter section and the section AMOP with further DPG divisions environmental physics, history of physics, microprobes, radiation and medical physics, as well as the working groups energy, equal opportunities, industry and business, information, philosophy of physics, physics and disarmament, young DPG
- Dates
- 13-18 Mar 2011
- Place
- Dresden (Germany)
INIS
- Country of Publication
- Germany
- Country of Input or Organization
- Germany
- INIS RN
- 43000186
- Subject category
- S36: MATERIALS SCIENCE;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- DENSITY FUNCTIONAL METHOD; GRAIN ORIENTATION; INTERFACES; IRON; MAGNETIC FIELDS; MAGNETIC MATERIALS; MECHANICAL PROPERTIES; STABILITY; ZIRCONIUM OXIDES
- Descriptors DEC
- CALCULATION METHODS; CHALCOGENIDES; ELEMENTS; MATERIALS; METALS; MICROSTRUCTURE; ORIENTATION; OXIDES; OXYGEN COMPOUNDS; TRANSITION ELEMENT COMPOUNDS; TRANSITION ELEMENTS; VARIATIONAL METHODS; ZIRCONIUM COMPOUNDS
Optional Information
- Notes
- Session: MM 10.6 Mo 17:00; No further information available