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15 papers · 2 filters
Multiscale modeling of submonolayer growth for Fe/Mo(110)
M. Mašín, M. Kotrla, B. Yang +3
We use a multiscale approach to study a lattice-gas model of submonolayer growth of Fe/Mo(110) by Molecular Beam Epitaxy. To begin with, we construct a two-dimensional lattice-gas…
The first-principles study of thermodynamical properties of random magnetic overlayers on fcc-Cu(001) substrate
Martin Mašín, Lars Bergqvist, Josef Kudrnovský +2
We present the theoretical study of thermodynamical properties of fcc-Cu(001) substrate covered by iron-cobalt monolayer as well as by incomplete iron layer. The effective two-dime…
Soft Mode in cubic PbTiO3 by Hyper-Raman Scattering
J. Hlinka, B. Hehlen, A. Kania +1
Hyper-Raman scattering experiments allowed collecting the spectra of the lowest F1u-symmetry mode of PbTiO3 crystal in the paraelectric phase up to 930K as well as down to about 1K…
Neutron scattering study of ferroelectric Sn2P2S6 under pressure
P. Ondrejkovic, M. Kempa, Y. Vysochanskii +4
Ferroelectric phase transition in the semiconductor Sn2P2S6 single crystal has been studied by means of neutron scattering in the pressure-temperature range adjacent to the anticip…
High piezoelectric coefficient of single domain Mn-doped NBT-6%BT single crystals
Mael Guennou, Maxim Savinov, Jan Drahokoupil +2
We report a study of properties of Mn-doped NBT-6%BT single crystals. We show that tetragonal single domain states can be stabilized by poling along a [001] direction. For carefull…
Magnetic anisotropy energy of disordered tetragonal Fe-Co systems from ab initio alloy theory
Ilja Turek, Josef Kudrnovsky, Karel Carva
We present results of systematic fully relativistic first-principles calculations of the uniaxial magnetic anisotropy energy (MAE) of a disordered and partially ordered tetragonal…