Origin of the high Neel temperature in SrTcO3

Abstract

We investigate the origin of the high Neel temperature recently found in Tc perovskites. The electronic structure in the magnetic state of SrTcO3 and its 3d analogue SrMnO3 is calculated within a framework combining band-structure and many-body methods. In agreement with experiment, the Neel temperature of SrTcO3 is found to be four times larger than that of SrMnO3. We show that this is because the Tc-compound lies on the verge of the itinerant-to-localized transition, and also has a larger bandwidth, while the Mn-compound lies deeper into the localized side. For SrTcO3 we predict that the Neel temperature depends weakly on applied pressure, in clear violation of Bloch's rule, signaling the complete breakdown of the localized picture.

4+ pages, 3 figures, published version

References in corpus (8)

• Continuous-time Monte Carlo methods for quantum impurity models
• Dynamical Mean-Field Theory within an Augmented Plane-Wave Framework: Assessing Electronic Correlations in the Iron Pnictide LaFeAsO
• Janus-faced influence of the Hund's rule coupling in strongly correlated materials
• The coherence-incoherence crossover and the mass-renormalization puzzles in Sr2RuO4
• Orthogonal Polynomial Representation of Imaginary-Time Green's Functions
• Hund's coupling key role in multi-orbital correlations
• Importance of electronic correlations for structural and magnetic properties of the iron pnictide superconductor LaFeAsO
• Exceptionally strong magnetism in 4d perovskites RTcO3 (R=Ca,Sr,Ba)

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