Order parameters in the Verwey phase transition (2008)
Piekarz, P., Parlinski, K., Oles, A. M.
The Verwey phase transition in magnetite is analyzed on the basis of the Landau theory. The free energy functional is expanded in a series of components belonging to the primary and secondary order...
Mechanism of the Verwey transition in magnetite (2006)
Piekarz, P., Parlinski, K., Oles, A. M.
By combining {\it ab initio} results for the electronic structure and phonon spectrum with the group theory, we establish the origin of the Verwey transition in Fe$_3$O$_4$. Two primary order...
Gerra, G., Tagantsev, A. K., Setter, N., Parlinski, K.
We report a first-principles investigation of ultrathin BaTiO3 films with SrRuO3 electrodes. We find that the ionic relaxations in the metal-oxide electrode play a crucial role in stabilizing the...
Phase-Transition Mechanisms Between Hexagonal Commensurate and Incommensurate Structures (2006)
A hexagonal two-dimensional model of particles with displacive degrees of freedom and interacting via potential energy with harmonic and anharmonic third- and fourth-order terms has been studied by...
The phonon dispersion curves of cubic acetylene, tetragonal urea, and monoclinic sodium carbonate are calculated from the generic force field using the direct method. The force constants of the...
Phonon dispersion and lifetimes in MgB2 (2006)
Shukla, Abhay, Calandra, Matteo, D'Astuto, Matteo, Lazzeri, Michele, Mauri, Francesco, Bellin, Christophe, ...
We measure phonon dispersion and linewidth in a single crystal of MgB_2 along the Gamma-A, Gamma-M and A-L directions using inelastic X-Ray scattering. We use Density Functional Theory to compute the...
Influence of local electron interactions on phonon spectrum in iron (2006)
Lazewski, J., Piekarz, P., Oleś, A. M., Parlinski, K.
The density functional generalized-gradient approximation with the local Coulomb interaction U and the direct method have been applied to study the electronic structure and the phonon spectrum of Fe...
Mechanism of the Verwey transition in magnetite (2006)
Piekarz, P., Parlinski, K., Oleś, A. M.
By combining ab initio results for the electronic structure and phonon spectrum with the group theory, we establish the origin of the Verwey transition in Fe3O4. Two primary order parameters with X-3...
First-principles study of phonon modes in PuCoGa5 superconductor (2005)
Piekarz, P., Parlinski, K., Jochym, P. T., Oleś, A. M., Sanchez, J. P., Rebizant, J.
Phonon dispersion and lifetimes in MgB2 (2003)
Shukla, Abhay, Calandra, Matteo, D'Astuto, Matteo, Lazzeri, Michele, Mauri, Francesco, Bellin, Christophe, ...
We measure phonon dispersion and linewidth in a single crystal of MgB_2 along the Gamma-A, Gamma-M and A-L directions using inelastic X-Ray scattering. We use Density Functional Theory to compute the...
Phonon dispersion and lifetimes in MgB2 (2003)
Shukla, Abhay, Calandra, Matteo, D'Astuto, Matteo, Lazzeri, Michele, Mauri, Francesco, Bellin, Christophe, ...
We measure phonon dispersion and linewidth in a single crystal of MgB_2 along the Gamma-A, Gamma-M and A-L directions using inelastic X-Ray scattering. We use Density Functional Theory to compute the...
Phonon dispersion and lifetimes in MgB2 (2002)
Shukla, Abhay, Calandra, Matteo, D'Astuto, Matteo, Lazzeri, Michele, Mauri, Francesco, Bellin, Christophe, ...
We measure phonon dispersion and linewidth in a single crystal of MgB_2 along the Gamma-A, Gamma-M and A-L directions using inelastic X-Ray scattering. We use Density Functional Theory to compute the...
Ferroelastic Phase Transition in Pb3(PO4)2 Studied by Computer Simulation (1997)
A model of lead phosphate which describes its rhombohedral-monoclinic improper ferroelastic phase transition is proposed. It contains a reduced number of degrees of freedom but it is constructed...
Ferroelastic Phase Transition in Pb3(PO4)2 Studied by Computer Simulation (1997)
A model of lead phosphate which describes its rhombohedral-monoclinic improper ferroelastic phase transition is proposed. It contains a reduced number of degrees of freedom but it is constructed...
Ferroelastic Phase Transition in Pb3(PO4)2 Studied by Computer Simulation (1997)
A model of lead phosphate which describes its rhombohedral-monoclinic improper ferroelastic phase transition is proposed. It contains a reduced number of degrees of freedom but it is constructed...
On the molecular-dynamics study of a phase transition in a quasicrystal model (1990)
Parlinski, K., Dénoyer, E., Lambert, M.
A two-dimensional model of large (L) and small (S) atoms interacting via the Lennard-Jones potential has been studied by the molecular-dynamics technique. Slow cooling of the system L0.435S0.565 from...
On the molecular-dynamics study of a phase transition in a quasicrystal model (1990)
Parlinski, K., Dénoyer, E., Lambert, M.
A two-dimensional model of large (L) and small (S) atoms interacting via the Lennard-Jones potential has been studied by the molecular-dynamics technique. Slow cooling of the system L0.435S0.565 from...
On the molecular-dynamics study of a phase transition in a quasicrystal model (1990)
Parlinski, K., Dénoyer, E., Lambert, M.
A two-dimensional model of large (L) and small (S) atoms interacting via the Lennard-Jones potential has been studied by the molecular-dynamics technique. Slow cooling of the system L0.435S0.565 from...