About: Electric field gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Temperature dependence of nuclear magnetic resonance (NMR) spectra of 47Ti and 49Ti in polycrystalline ilmenite FeTiO3 was measured in the range from 5 to 300 K under an external magnetic ?eld of 9.401 T. NMR spectra collected between 300 and 77 K exhibit a resolved quadrupole splitting. The electric ?eld gradient (EFG) tensor was evaluated for Ti nuclei and the ratio of 47 Ti and 49 Ti nuclear quadrupole moments was re?ned during the ?tting procedure. Below 77 K, the ?ne structure of quadrupole splitting disappears due to the enormous increase of anisotropy. As a counterpart, ab initio calculations were performed using full potential augmented plane waves + local orbitals (APW + lo). The calculated EFG tensors for Ti and Fe were compared to the experimental ones evaluated from NMR and the M ssbauer spectroscopy experiments. Temperature dependence of nuclear magnetic resonance (NMR) spectra of 47Ti and 49Ti in polycrystalline ilmenite FeTiO3 was measured in the range from 5 to 300 K under an external magnetic ?eld of 9.401 T. NMR spectra collected between 300 and 77 K exhibit a resolved quadrupole splitting. The electric ?eld gradient (EFG) tensor was evaluated for Ti nuclei and the ratio of 47 Ti and 49 Ti nuclear quadrupole moments was re?ned during the ?tting procedure. Below 77 K, the ?ne structure of quadrupole splitting disappears due to the enormous increase of anisotropy. As a counterpart, ab initio calculations were performed using full potential augmented plane waves + local orbitals (APW + lo). The calculated EFG tensors for Ti and Fe were compared to the experimental ones evaluated from NMR and the M ssbauer spectroscopy experiments. (en)
Title	Electric field gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations Electric field gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations (en)
skos:prefLabel	Electric field gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations Electric field gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations (en)
skos:notation	RIV/61989592:15310/11:33117902!RIV12-MSM-15310___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(1M0512), P(ED2.1.00/03.0058), P(KAN115600801), Z(MSM0021620834), Z(MSM6198959218)
http://linked.open...iv/cisloPeriodika	20
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Čuda, Jan Procházka, Vít Zbořil, Radek Tuček, Jiří Filip, Jan
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	Univerzita Palackého v Olomouci / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	196987
http://linked.open...ai/riv/idVysledku	RIV/61989592:15310/11:33117902
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Antiferromagnetic FeTiO3; Solid-state NMR (en)
http://linked.open.../riv/klicoveSlovo	Antiferromagnetic FeTiO3 Solid-state NMR
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[FF7818F16519]
http://linked.open...i/riv/nazevZdroje	Journal of Physics - Condensed Matter
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	5 (xsd:int)
http://linked.open...cetTvurcuVysledku	8 (xsd:int)
http://linked.open...vavai/riv/projekt	Research center of powdered nanomaterials Regional Centre of Advanced Technologies and Materials New technologies of preparation and exploitation of iron oxide-based nanoparticles for environmental, industrial and medical applications
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	23
http://linked.open...iv/tvurceVysledku	Chlan, V. Filip, Jan Tuček, Jiří Zbořil, Radek Štěpánková, H. Kouřil, K. Procházka, Vít Čuda, Jan
http://linked.open...ain/vavai/riv/wos	000290212300014
http://linked.open...n/vavai/riv/zamer	Condensed Matter Physics – New Materials and Technologies Komplexní sloučeniny a oxidy přechodných kovů s využitím v bioaplikacích a nanotechnologiích
issn	0953-8984
number of pages	5 (xsd:int)
http://bibframe.org/vocab/doi	10.1088/0953-8984/23/20/205503
http://localhost/t...ganizacniJednotka	15310

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