Charge transfer and orbital reconstruction in the (La2/3Sr1/3MnO3)m/(SrRuO3)n superlattices

The structural, electronic, and magnetic properties of (La2/3Sr1/3MnO3)(m)/(SrRuO3)(n) superlattices have been investigated based on the first principles calculations. An obvious Jahn-Teller distortion, which depends on m, n, appears in MnO6 octahedron in the superlattices. The stretch along c-axis of MnO6 octahedron at the interface lifts the Mn e(g) orbital degeneracy, with electrons preferring the lower energy 3z(2) -r(2) to the higher energy x(2) - y(2). Benefitting from the charge transfer at the interface, the still occupied x(2) - y(2) orbital can mediate a robust in-plane double exchange interaction. La2/3Sr1/3MnO3 block is ferromagnetic and metallic, even for the superlattice with m = n = 1. (c) 2015 Author(s).