Zobrazeno 1 - 10
of 334
pro vyhledávání: '"K. Parlinski"'
Autor:
J. Kalt, M. Sternik, I. Sergeev, M. Mikolasek, D. Bessas, J. Göttlicher, B. Krause, T. Vitova, R. Steininger, O. Sikora, P. T. Jochym, O. Leupold, H.-C. Wille, A. I. Chumakov, P. Piekarz, K. Parlinski, T. Baumbach, S. Stankov
Publikováno v:
Physical review / B 106(20), 205411 (2022). doi:10.1103/PhysRevB.106.205411
Physical review / B 106(20), 205411 (2022). doi:10.1103/PhysRevB.106.205411
Here we present a combined experimental and ab initio lattice dynamics study of the semiconducting β phase of FeSi$_2$. A polycrystalline $β$− FeSi$_2$ film was prep
Here we present a combined experimental and ab initio lattice dynamics study of the semiconducting β phase of FeSi$_2$. A polycrystalline $β$− FeSi$_2$ film was prep
Akademický článek
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Autor:
A, Seiler, P, Piekarz, S, Ibrahimkutty, D G, Merkel, O, Waller, R, Pradip, A I, Chumakov, R, Rüffer, T, Baumbach, K, Parlinski, M, Fiederle, S, Stankov
Publikováno v:
Physical review letters. 117(27)
We report a systematic lattice dynamics study of EuSi_{2} films and nanoislands by in situ nuclear inelastic scattering on ^{151}Eu and ab initio theory. The Eu-partial phonon density of states of the nanoislands exhibits anomalous excess of phonon s
Autor:
K. Parlinski
Publikováno v:
École thématique de la Société Française de la Neutronique. 12:161-166
First-principle phonon calculations can be performed using standard DFT program and the direct method. For that the supercell of studied crystal must be optimized, the Hellmann-Feynman forces derived, the dynamical matrix constructed and diagonalized
Akademický článek
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Autor:
Dariusz Gora, K. Parlinski
Publikováno v:
Journal of Physics and Chemistry of Solids. 66:1748-1754
The structure, lattice dynamics and electronic band structure of Ni 43.75 Fe 6.25 Ti 50 were obtained using ab initio calculations. The phonon dispersion relations and phonon density of states were calculated using the direct method. The stability of
Publikováno v:
Chemical Physics. 317:171-177
The vibrational density of states of the four differently deuterated substitutes of methanol in crystalline and amorphous phases were obtained from the INS spectra measured at 20 K in the frequency range up to 1600 cm −1 . The experimental spectra
Publikováno v:
Chemical Physics. 291:53-60
Density functional theory (DFT) methods, as implemented in the V asp code, are used to calculate the inelastic neutron scattering (INS) spectrum of urea, which has been measured on the T osca spectrometer at ISIS, UK and the NERA-PR spectrometer at D
Autor:
K. Parlinski, Dariusz Gora
Publikováno v:
Journal of Magnetism and Magnetic Materials. 257:235-238
The magnetization density of the antiferromagnetic (AFM) La2NiO4 crystal has been calculated by the ab initio density-functional theory. The calculations for the AFM phase reproduce the experimental lattice parameters of the unit cell and the magneti
Autor:
Dariusz Gora, K. Parlinski
Publikováno v:
Acta Physica Polonica A. 102:437-442
A crack in cubic boron nitride crystal was simulated within the ab initio density-functional theory. The lattice constant, critical stress intensity factor K c , which describes crack creation stress, and fracture surface energy Γ were calculated fr