Dresden 2020 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 17: Poster Session Correlated Electrons 1

TT 17.16: Poster

Montag, 16. März 2020, 15:00–19:00, P2/EG

DFT calculations and spin dynamics of the quantum spin liquid candidate Na2BaCo(PO4)2 — •Christoph Wellm1,2, Willi Roscher1, Vladislav Kataev1, Oleg Janson1, Bernd Büchner1,2, Robert J. Cava3, and Ruidan Zhong31Leibniz Institute for Solid State and Materials Research IFW Dresden, D-01069 — 2Institut für Festkörper- und Materialphysik, Technische Universität Dresden, D-01062 — 3Department of Chemistry, Princeton University, Princeton, US-08544

The recently synthesized triangular lattice magnet Na2BaCo(PO4)2 shows effective S = 1/2 behavior with strong quantum fluctuations persistent down to 50 mK in absence of long-range order, rendering it a promising candidate for the quantum spin liquid (QSL) ground state [1,2]. In this joined work, DFT calculations and ESR measurements provide a microscopic insight into the leading magnetic interactions and spin dynamics of the system. Using the full-potential code FPLO, the leading magnetic exchanges, the spin orbit coupling constant and the trigonal crystal field splitting are evaluated. ESR hints at a temperature-dependent magnetic moment in line with magnetization data, and shows enhanced spin-spin correlations at low-temperatures. The theoretical findings are compared to the new experimental results.

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