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HL: Fachverband Halbleiterphysik
HL 70: Spin phenomena in semiconductors
HL 70.2: Vortrag
Donnerstag, 19. März 2020, 15:15–15:30, POT 251
High-throughput computational discovery of In2Mn2O7 as a high Curie temperature ferromagnetic semiconductor for spintronics — •Wei Chen1, Janine George1, Joel B. Varley2, Gian-Marco Rignanese1, and Geoffroy Hautier1 — 1Institute of Condensed Matter and Nanoscicence (IMCN), Université catholique de Louvain, Louvain-la-Neuve 1348, Belgium — 2Lawrence Livermore National Laboratory, Livermore, California 94550, USA
Robust ferromagnetism and attractive semiconducting properties are critical for achieving highly spin-polarized transport in spintronic devices, yet combining the two requirements in one material remains an open problem. Here we conduct a search for concentrated ferromagnetic semiconductors through high-throughput computational screening of over 40000 known compounds. Among the very few identified ferromagnetic semiconductors, we show that the manganese pyrochlore oxide In2Mn2O7, hitherto unknown to spintronic applications, is particularly promising for spin transport as it combines a low electron effective mass (0.29 m0), a large exchange splitting of the conduction band (1.1 eV), good stability in air, and a Curie temperature (130 K) among the highest of concentrated ferromagnetic semiconductors. We rationalize the high performance of In2Mn2O7 by the unique hybridization among O-2p, Mn-3d, and In-5s states. We further find that Sn and Mo can be effectively incorporated on the In site while acting as shallow donors, indicative of n-type dopability.