"Antiferromagnetic FeTiO3; Solid-state NMR"@en . . "23" . . . "Kou\u0159il, K." . "Electric field gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations"@en . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . . "Zbo\u0159il, Radek" . . . "Chlan, V." . "0953-8984" . . . "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." . . . "5"^^ . . "Filip, Jan" . . . "Electric field gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations"@en . "P(1M0512), P(ED2.1.00/03.0058), P(KAN115600801), Z(MSM0021620834), Z(MSM6198959218)" . "[FF7818F16519]" . . "\u010Cuda, Jan" . "Electric field gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations" . . "20" . "\u0160t\u011Bp\u00E1nkov\u00E1, H." . "196987" . "8"^^ . "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 . "10.1088/0953-8984/23/20/205503" . . "15310" . "5"^^ . . "Tu\u010Dek, Ji\u0159\u00ED" . . . "000290212300014" . . . "Electric field gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations" . . . "RIV/61989592:15310/11:33117902" . "Journal of Physics - Condensed Matter" . "RIV/61989592:15310/11:33117902!RIV12-MSM-15310___" . . "Proch\u00E1zka, V\u00EDt" .