Published 2016
| Version v1
Miscellaneous
Stabilization of ferroelectric properties in Hafnia and Zirconia
Description
Experiments by our collaborators show that not only earth alkaline metals but also lanthanides and boron group metals are capable of inducing ferroelectric behavior in Hafnia. These dopants are known to form more complex defect structures due to their 3-valent nature. This requires further simulation. In some cases computationally more expensive density functionals will be required.
Additional details
Identifiers
Publishing Information
- ISBN
- 978-3-9816675-1-6
- Imprint Title
- High performance computing in science and engineering Garching/Munich 2016
- Imprint Pagination
- 293 p.
- Journal Page Range
- p. 218-219
INIS
- Country of Publication
- Germany
- Country of Input or Organization
- Germany
- INIS RN
- 47106867
- Subject category
- S36: MATERIALS SCIENCE;
- Resource subtype / Literary indicator
- Non-conventional Literature
- Descriptors DEI
- BINDING ENERGY; COMPUTERIZED SIMULATION; CRYSTAL DEFECTS; DENSITY FUNCTIONAL METHOD; DIELECTRIC PROPERTIES; DOPED MATERIALS; ELECTRON DENSITY; FERROELECTRIC MATERIALS; HAFNIUM OXIDES; MONOCLINIC LATTICES; STABILIZATION; SURFACE ENERGY; TETRAGONAL LATTICES; ZIRCONIUM OXIDES
- Descriptors DEC
- CALCULATION METHODS; CHALCOGENIDES; CRYSTAL LATTICES; CRYSTAL STRUCTURE; DIELECTRIC MATERIALS; ELECTRICAL PROPERTIES; ENERGY; FREE ENERGY; HAFNIUM COMPOUNDS; MATERIALS; OXIDES; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; REFRACTORY METAL COMPOUNDS; SIMULATION; SURFACE PROPERTIES; THERMODYNAMIC PROPERTIES; THREE-DIMENSIONAL LATTICES; TRANSITION ELEMENT COMPOUNDS; VARIATIONAL METHODS; ZIRCONIUM COMPOUNDS