About: A density functional study of second-order susceptibilities in calcium samarium oxyborate Ca4SmO(BO3)(3)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We report calculations of the linear and nonlinear optical susceptibilities (second harmonic generation) for calcium samarium oxyborate Ca4SmO(BO3)(3) using the full-potential linear augmented plane wave method. Our calculations show that this compound is metallic-like with density of states at the Fermi energy E-F, N(E-F) = 421.6 states/Ry-cell or a bare electronic specific heat coefficient of 73.14 mJ mole(-1) K-2. We find that the metallic behaviour is due to the strong overlap of the Sm and O states around EF. We have performed calculations for the two contributions to epsilon(omega), namely, intra-band and inter-band transitions. The effect of the intra-band term is significant for energies less than 1 eV. We have calculated the various components of the second-order susceptibility tensor and find that chi((2))(111)(omega) is the dominant component. We find opposite signs for the contributions of 2 omega and 1 omega inter-/intra-band to the real and imaginary parts of the dominant component throu We report calculations of the linear and nonlinear optical susceptibilities (second harmonic generation) for calcium samarium oxyborate Ca4SmO(BO3)(3) using the full-potential linear augmented plane wave method. Our calculations show that this compound is metallic-like with density of states at the Fermi energy E-F, N(E-F) = 421.6 states/Ry-cell or a bare electronic specific heat coefficient of 73.14 mJ mole(-1) K-2. We find that the metallic behaviour is due to the strong overlap of the Sm and O states around EF. We have performed calculations for the two contributions to epsilon(omega), namely, intra-band and inter-band transitions. The effect of the intra-band term is significant for energies less than 1 eV. We have calculated the various components of the second-order susceptibility tensor and find that chi((2))(111)(omega) is the dominant component. We find opposite signs for the contributions of 2 omega and 1 omega inter-/intra-band to the real and imaginary parts of the dominant component throu (en)
Title	A density functional study of second-order susceptibilities in calcium samarium oxyborate Ca4SmO(BO3)(3) A density functional study of second-order susceptibilities in calcium samarium oxyborate Ca4SmO(BO3)(3) (en)
skos:prefLabel	A density functional study of second-order susceptibilities in calcium samarium oxyborate Ca4SmO(BO3)(3) A density functional study of second-order susceptibilities in calcium samarium oxyborate Ca4SmO(BO3)(3) (en)
skos:notation	RIV/60076658:12640/09:00010052!RIV10-MSM-12640___
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(MSM6007665808)
http://linked.open...iv/cisloPeriodika	8
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Reshak, Ali Hussain
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Jihočeská univerzita v Českých Budějovicích / Ústav fyzikální biologie
http://linked.open...dnocenehoVysledku	301234
http://linked.open...ai/riv/idVysledku	RIV/60076658:12640/09:00010052
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	CRYSTAL-STRUCTURE; BORATE (en)
http://linked.open.../riv/klicoveSlovo	CRYSTAL-STRUCTURE BORATE
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[FC1128BC3A77]
http://linked.open...i/riv/nazevZdroje	Journal of Physics D:Applied Physics
http://linked.open...in/vavai/riv/obor	BO
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	42
http://linked.open...iv/tvurceVysledku	Reshak, Ali Hussain Auluck, S. Kityk, I. V.
http://linked.open...ain/vavai/riv/wos	000265248300070
http://linked.open...n/vavai/riv/zamer	Fyzikální biologie -nové přístupy v biologickém výzkumu
issn	0022-3727
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	12640

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