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Quantum and thermal ionic motion, oxygen isotope effect, and superexchange distribution in La2CuO4.
- Source :
-
Physical Review B: Condensed Matter & Materials Physics . Feb2014, Vol. 89 Issue 8, p085113-1-085113-13. 13p. - Publication Year :
- 2014
-
Abstract
- We study the zero-point and thermal ionic motion in La2CuO4 by means of high-resolution neutron-diffraction experiments. Our results demonstrate anisotropic motion of 0 and, to a lesser extent, Cu ions, both consistent with the structure of coupled CuO6 octahedra, and quantify the relative effects of zero-point and thermal contributions to ionic motion. By substitution of 18O, we find that the oxygen isotope effect on the lattice dimensions is small and negative (-0.01%), while the isotope effect on the ionic displacement parameters is significant (-6 to 50%). We use our results as input for theoretical estimates of the distribution of magnetic interaction parameters, J, in an effective one-band model for the cuprate plane. We find that ionic motion causes only small (1%) effects on the average value <J>, which vary with temperature and 0 isotope, but results in dramatic (10-20%) fluctuations in J values that are subject to significant (8-12%) isotope effects. We demonstrate that this motional broadening of J can have substantial effects on certain electronic and magnetic properties in cuprates. [ABSTRACT FROM AUTHOR]
- Subjects :
- *ELECTRON mobility
*ISOTOPES
*MAGNETIC properties
*ANISOTROPY
*OXYGEN isotopes
Subjects
Details
- Language :
- English
- ISSN :
- 10980121
- Volume :
- 89
- Issue :
- 8
- Database :
- Academic Search Index
- Journal :
- Physical Review B: Condensed Matter & Materials Physics
- Publication Type :
- Academic Journal
- Accession number :
- 95521579
- Full Text :
- https://doi.org/10.1103/PhysRevB.89.085113