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Possible transformation paths connecting the C11b, C40 and C54 structures in MoSi2
Three transformation paths for transition metal disilicides are proposed.
BM - Fyzika pevných látek a magnetismus
- 2005 •
- D
Rok uplatnění
D - Stať ve sborníku
The effect of spin-orbit coupling on energetics of tungsten and lead along the trigonal displacive phase transformation path
Total energy calculations using full potential linearised augmented plane wave (FLAPW) method were performed along a trigonal displacive phase transformation path in tungsten and lead. In case of lead, we have found a signi...
BM - Fyzika pevných látek a magnetismus
- 2001 •
- D
Rok uplatnění
D - Stať ve sborníku
Higher-Energy Structures and Stability of Cu and Al Crystals Along Displacive Transformation Paths
Stability of ground-state and higher-energy phases of Cu and Al encountered along the tetragonal (bcc-fcc), trigonal (bcc-simple cubic-fcc) and hexagonal (bcc-hcp) displacive transformation paths is studied by ab initio ele...
BM - Fyzika pevných látek a magnetismus
- 2005 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Study of the structural stability in intermetallics using displacive transformation paths.
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JG - Hutnictví, kovové materiály
- 1997 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Ab initio study of displacive phase transformations in iron
The bcc--hcp and bcc--fcc transformations in iron are studied ab initio by following a constant-volume one-parameter transformation paths. Exchange-correlation--fcc transformation path. at which the bcc fe...
BM - Fyzika pevných látek a magnetismus
- 1999 •
- D
Rok uplatnění
D - Stať ve sborníku
Transformation paths in transition-metal disilicides
We suggest and investigate three possible displacive transformation paths ab initio total energies along these paths. An estimate of transition stability and indicates that if a phase transformation betwee...
BM - Fyzika pevných látek a magnetismus
- 2011 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Ab initio study of phase transformations in transition-metal disilicides
We suggest and investigate three possible displacive structural transformation paths between the ideal C11b, C40 and C54 structures in MoSi2, VSi2 and TiSi2. An analysis of ab initio calculated total energies along these
BM - Fyzika pevných látek a magnetismus
- 2011 •
- Jx •
- Link
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
AB INITIO STUDY OF COBALT MAGNETISM ALONG THE TETRAGONAL DEFORMATION PATHS
We present a study of magnetic behavior of cobalt along the tetragonal deformation path at various atomic volumes. The total energies are calculated by full-potential linearized augmented plane waves (FLAPW) method incorporated in the WIEN2k...
BM - Fyzika pevných látek a magnetismus
- 2005 •
- D
Rok uplatnění
D - Stať ve sborníku
Transformation paths in transition-metal disilicides
We suggest and investigate three possible displacive transformation paths ab initio total energie along these paths. An estimate of transition temperatures and indicates that if a phase transformation betw...
BM - Fyzika pevných látek a magnetismus
- 2011 •
- Jx •
- Link
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
Energetics of displacive phase transformation in iron from first principles
The pressure-induced bcc-hcp transformation in iron is studied ab initio by following a constant-volume one-parameter transformation path. The calculations are performed in the generalized gradient approximation (GGA). It i...
BM - Fyzika pevných látek a magnetismus
- 1999 •
- D
Rok uplatnění
D - Stať ve sborníku
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