Electric-field-gradient tensor and boron site-resolved {sup 11}B NMR in single-crystalline YB{sub 12}
Journal Article
·
· Physical Review. B, Condensed Matter and Materials Physics
- Institute of Physics, A. Mickiewicz University, Umultowska Street 65, 61-614 Poznan (Poland)
- Institut fuer Physikalische Chemie, Universitaet Wien, Waehringer Strasse 42, 1090 Vienna (Austria)
- Institute for Low Temperature and Structure Research, Polish Academy of Sciences, Okolna Street 2, 50-422 Wroclaw (Poland)
- Institute for Problems of Materials Sciences, Academy of Sciences of Ukraine, Krzhyzhanovsky Street 3, 03680 Kiev (Ukraine)
{sup 11}B NMR measurements on a single crystal of YB{sub 12} have been performed at room temperature at a frequency of 128.4 MHz. The electric-field-gradient (EFG) tensor components and the principal axes calculated previously by first-principles methods have been verified experimentally. Three magnetically different boron-atom groups in the B{sub 12} cluster were clearly observed for the crystal orientation used in this work. This distinction results from different EFG-tensor orientations with respect to magnetic field and not from different quadrupolar splittings ({nu}{sub Q}) or asymmetry-parameter values ({eta}). The magnetically different boron atoms have been identified through the calculated angle dependence of the satellite transitions (0 deg. -360 deg.). Very satisfactory agreement between the calculated and experimental angular dependencies of the EFG tensor has been obtained. Similarly, the quadrupolar splittings and asymmetry parameters agree very well with those previously determined from NMR measurements on a powder sample of YB{sub 12}.
- OSTI ID:
- 20951409
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 18 Vol. 75; ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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