Zobrazeno 1 - 10
of 591
pro vyhledávání: '"Koval, S."'
Publikováno v:
Condensed Matter Physics, 2022, vol. 25, No. 4, 43709
We develop a shell model (SM) for potassium dihydrogen phosphate (KDP) which is fitted to ab initio (AI) results that include nonlocal van der Waals corrections. The SM is comprehensively tested by comparing results of structural, vibrational and fer
Externí odkaz:
http://arxiv.org/abs/2301.01538
Publikováno v:
Condensed Matter Physics, 2022, vol. 25, No. 4, 43708
Path integral Monte Carlo (PIMC) simulations with very simple models were used in order to unveil the physics behind the isotope effects in H-bonded ferroelectrics. First, we studied geometrical effects in the H-bonds caused by deuteration with a gen
Externí odkaz:
http://arxiv.org/abs/2301.01536
Akademický článek
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Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 2021 Jan 01. 118(1), 1-8.
Externí odkaz:
https://www.jstor.org/stable/27006408
Autor:
Capitani, F., Koval, S., Fittipaldi, R., Caramazza, S., Paris, E., Mohamed, W. S., Lorenzana, J., Nucara, A., Rocco, L., Vecchione, A., Postorino, P., Calvani, P.
Publikováno v:
Physical Review B 91, 214308 (2015)
The Raman spectrum of Ba2CuGe2O7, a tetragonal insulator which develops Dzyaloshinsky- Moriya helical magnetism below TN = 3.2 K, has been detected at temperatures varying from 300 to 80 K in a single crystal, with the radiation polarized either in t
Externí odkaz:
http://arxiv.org/abs/1602.03381
Autor:
Nucara, A., Mohamed, W. S., Baldassarre, L., Koval, S., Lorenzana, J., Fittipaldi, R., Balakhrisnan, G., Vecchione, A., Calvani, P.
Publikováno v:
Phys. Rev. B 90, 014304 (2014)
The lattice dynamics of Ba$_2$CuGe$_2$O$_7$, a compound which develops Dzyaloshinsky-Moriya (DM) helical magnetism below $T_N$ = 3.2 K, has been studied by measuring the infrared reflectivity of a single crystal with the radiation polarized both in t
Externí odkaz:
http://arxiv.org/abs/1405.4610
Publikováno v:
Advances in Astronomy and Space Physics, 2, 184-187 (2012)
We study approximate solutions of the gravitational lens equation and corresponding lens magnification factor near the critical point. This consideration is based on the Taylor expansion of the lens potential in powers of coordinates and an introduct
Externí odkaz:
http://arxiv.org/abs/1212.6565
By means of extensive first-principles calculations we studied the ferroelectric phase transition and the associated isotope effect in KH2PO4 (KDP)
Comment: 16 pages, 10 figures
Comment: 16 pages, 10 figures
Externí odkaz:
http://arxiv.org/abs/cond-mat/0407707
Based on an accurate first principles description of the energetics in H-bonded KDP, we conduct a first study of nuclear quantum effects and of the changes brought about by deuteration. Cluster tunneling involving also heavy ions is allowed, the main
Externí odkaz:
http://arxiv.org/abs/cond-mat/0206029
The origin of ferroelectricity in KH_2PO_4 (KDP) is studied by first-principles electronic structure calculations. In the low-temperature phase, the collective off-center ordering of the protons is accompanied by an electronic charge delocalization f
Externí odkaz:
http://arxiv.org/abs/cond-mat/0008340