Orbital-State-Mediated Phase-Control of Manganites as Demonstrated by First-Principles Calculations

概要

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Orbital degrees of freedom in perovskite manganites, cooperating with the competition between double-exchange and super-exchange, give us an opportunity to control the system ground state phases simply by changing c/a ratio or doping x. This kind of phase control can be properly predicted by our first-principles calculations. We present a phase diagram of La_<1-x>Sr_xMnO_3 in the plane of c/a and doping x. This phase diagram consists of half-metallic ferromagnetic state, nearly half-metallic A-type, C-type and G-type antiferromagnetic states. We will discuss the phase diagram in terms of orbital ordering and anisotropy in the hopping integrals.
理論物理学刊行会の論文
2000-04-28