TY - JOUR
T1 - Magnetic ground state of coupled edge-sharing CuO2 Spin chains
AU - Schwingenschlögl, U.
AU - Schuster, C.
PY - 2007/12/7
Y1 - 2007/12/7
N2 - By means of density functional theory, we investigate the magnetic ground state of edge-sharing CuO2 spin chains, as found in the (La,Ca,Sr)14Cu24O41 system, for instance. Our data rely on spin-polarized electronic structure calculations including on-site interaction [local density approximation plus the multiorbital mean-field Hubbard model (LDA+U)] and an effective model for the interchain coupling. Strong doping dependence of the magnetic order is characteristic for edge-sharing CuO2 spin chains. We determine the ground state magnetic structure as function of the spin-chain filling and quantify the competing exchange interactions.
AB - By means of density functional theory, we investigate the magnetic ground state of edge-sharing CuO2 spin chains, as found in the (La,Ca,Sr)14Cu24O41 system, for instance. Our data rely on spin-polarized electronic structure calculations including on-site interaction [local density approximation plus the multiorbital mean-field Hubbard model (LDA+U)] and an effective model for the interchain coupling. Strong doping dependence of the magnetic order is characteristic for edge-sharing CuO2 spin chains. We determine the ground state magnetic structure as function of the spin-chain filling and quantify the competing exchange interactions.
UR - http://www.scopus.com/inward/record.url?scp=36849017923&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.99.237206
DO - 10.1103/PhysRevLett.99.237206
M3 - Article
AN - SCOPUS:36849017923
SN - 0031-9007
VL - 99
JO - Physical Review Letters
JF - Physical Review Letters
IS - 23
M1 - 237206
ER -