About: Calculation of crystal field parameters

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Calculation of the crystal field parameters (CFP) of the rare earth ions in solids is a formidable problem and until now no robust and reliable method to calculate them is available. The present contribution summarizes the present status of both the semiempirical and ab initio approaches to calculate CFP. New promising ab initio method, which is based on the Wannier functions is described and illustrated on the example of Pr4+ ion in praseodymium dioxide. Calculation of the crystal field parameters (CFP) of the rare earth ions in solids is a formidable problem and until now no robust and reliable method to calculate them is available. The present contribution summarizes the present status of both the semiempirical and ab initio approaches to calculate CFP. New promising ab initio method, which is based on the Wannier functions is described and illustrated on the example of Pr4+ ion in praseodymium dioxide. (en)
Title	Calculation of crystal field parameters Calculation of crystal field parameters (en)
skos:prefLabel	Calculation of crystal field parameters Calculation of crystal field parameters (en)
skos:notation	RIV/68378271:_____/13:00424734!RIV14-GA0-68378271
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(GAP204/10/0284), P(GAP204/11/0713)
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Novák, Pavel
http://linked.open.../riv/druhVysledku	C - Kapitola v knize
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Fyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	64110
http://linked.open...ai/riv/idVysledku	RIV/68378271:_____/13:00424734
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	rare earth compounds; effective Hamiltonian; crystal field (en)
http://linked.open.../riv/klicoveSlovo	crystal field rare earth compounds effective Hamiltonian
http://linked.open...ontrolniKodProRIV	[C17DF3E887A5]
http://linked.open...i/riv/mistoVydani	New York
http://linked.open...vEdiceCisloSvazku	Chemistry Research and Applications: Materials Science and Technologies
http://linked.open...i/riv/nazevZdroje	Rare Earths: New Research
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...v/pocetStranKnihy	300 (xsd:int)
http://linked.open...cetTvurcuVysledku	1 (xsd:int)
http://linked.open...vavai/riv/projekt	Charge transfer between the transition metal and rare earth ions in perovskites Magnetic and Transport Properties of LaCoO3: Dynamical Mean-Field Study
http://linked.open...UplatneniVysledku	2013
http://linked.open...iv/tvurceVysledku	Novák, Pavel
number of pages	18 (xsd:int)
http://purl.org/ne...btex#hasPublisher	Nova Science Publishers
https://schema.org/isbn	978-1-62618-996-6

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