Dresden 2020 – scientific programme

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HL: Fachverband Halbleiterphysik

HL 39: Materials and devices for quantum technology II

HL 39.9: Talk

Wednesday, March 18, 2020, 12:15–12:30, POT 112

Rectifying the zero-field splitting of the NV centers in silicon carbide — •Timur Biktagirov, Wolf Gero Schmidt, and Uwe Gerstmann — University of Paderborn, Paderborn, Germany

The negatively charged nitrogen-vacancy (NV) center in silicon carbide is an attractive class of spin-triplet qubits, analogous to its counterpart in diamond [1]. One of the key spectroscopic fingerprints of the NV center is the splitting of its spin sublevels in the absence of external magnetic fields [2]. Herein, we show that the theoretical prediction of the zero-field splitting with the density functional theory is challenged by the so-called spin contamination of the two-particle spin density [3]. Subsequently, an efficient scheme to correct the zero-field splitting is devised showing excellent agreement with the experiment.

[1] H. J. Von Bardeleben, et al., PRB 94, 121202 (2016).

[2] T. Biktagirov, W. G. Schmidt, and U. Gerstmann PRB 97, 115135 (2018).

[3] S. Sinnecker, and F. Neese, J. Phys. Chem. A 110, 12267-12275 (2006).