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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 Wellm^1,2, Willi Roscher¹, Vladislav Kataev¹, Oleg Janson¹, Bernd Büchner^1,2, Robert J. Cava³, and Ruidan Zhong³ — ¹Leibniz 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.