dc.contributor.author | Annett, James F. | eng |
dc.contributor.author | Martin, Richard M. | eng |
dc.contributor.author | McMahan, A. K. | eng |
dc.contributor.author | Satpathy, Sashi Sekhar, 1956- | eng |
dc.date.issued | 1989 | eng |
dc.description | URL:http://link.aps.org/doi/10.1103/PhysRevB.40.2620
DOI:10.1103/PhysRevB.40.2620 | eng |
dc.description.abstract | A many-body Hamiltonian for La2CuO4 with ab initio parameters is solved numerically using embedded-cluster approximations. The results give an antiferromagnetic insulator with a 2-3 eV energy gap, consistent with spectroscopic measurements, NMR chemical shifts, and the spin-wave velocity. The Néel state has a significant frustration due to second-neighbor interactions, J2/J1≊5%-8%. Two competing states are found for holes introduced by doping, with primarily in-plane oxygen pσ and out-of-plane oxygen pz character. | eng |
dc.description.sponsorship | This work was supported by National Science Foundation Grant No. NSF-DMR86-12860. | eng |
dc.identifier.citation | Phys. Rev. B 40, 2620-2623 (1989) | eng |
dc.identifier.issn | 1098-0121 | eng |
dc.identifier.uri | http://hdl.handle.net/10355/9557 | eng |
dc.language | English | eng |
dc.publisher | American Physical Society | eng |
dc.relation.ispartofcollection | University of Missouri--Columbia. College of Arts and Sciences. Department of Physics and Astronomy. Physics and Astronomy publications | eng |
dc.subject | exchange and superexchange interactions | eng |
dc.subject.lcsh | Metal-insulator transitions | eng |
dc.title | Electronic Hamiltonian and antiferromagnetic interactions in La2CuO4 | eng |
dc.type | Article | eng |