Pressure Induced Charge Disproportionation in LaMnO${}_3$

Abstract

We present a total energy study as a function of volume in the cubic phase of LaMnO${}_3$. A charge disproportionated state into planes of Mn${}^{3+}$O${}_2$/Mn${}^{4+}$O${}_2$ was found. It is argued that the pressure driven localisation/delocalisation transition might go smoothly through a region of Mn${}^{3+}$ and Mn${}^{4+}$ coexistence.

3 pages, 1 figure, Conference Proceedings: Nanospintronics: Design and Realization (Kyoto, Japan 24-28 May, 2004)