Electron-lattice coupling, orbital stability and the phase diagram of Ca2-xSrxRuO4
Abstract
Hartree-Fock calculations are presented of a theoretical model describing the Sr/CaRuO4 family of compounds. Both commensurate and incommensurate magnetic states are considered, along with orbital ordering and the effect of lattice distortions. For reasonable parameter values, interactions disfavor orbital disproportionation. A coherent description of the observed phase diagram is obtained.
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