Year-end Sale % OFF 
Abstract
The authors present local spin-density (LSD) calculations for YBa2Cu3O6 and La2CuO4. They find YBa2Cu3O6 to be an antiferromagnetic semimetal with a very small or nearly nonexistent moment. The value of this moment is not only dependent on the Brillouin zone integration sampling, but is also sensitive to the angular momentum expansion of the Cu and O sites in the CuO2 layers. Expanding (or squeezing) the Wigner-Seitz spheres up to 10% (or down to 9%) or including the breathing mode failed to make La2CuO4 an antiferromagnetic semiconductor.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
