Simulation of indirect 13C-13C J-coupling tensors in diamond clusters hosting the NV center

A. Nizovtsev; A. Pushkarchuk; D. Lyakhov; D. Michels; N. Kargin; S. Kilin; S. Kuten

REVIEW

Simulation of indirect 13C-13C J-coupling tensors in diamond clusters hosting the NV center

Not yet reviewed by Pith; the record is open.

Re-run · record.json Download PDF Read on arXiv ↗

This paper has not been read by Pith yet. Machine review is queued; the pith claim, tier, and objections will appear here once it completes.

SPECIMEN: schema-true, not a live event

T0 review · schema-true

One-sentence machine reading of the paper's core claim.

pith:XXXXXXXX · record.json · timestamp

arxiv 2204.14054 v1 pith:3LTU3732 submitted 2022-04-29 quant-ph

Simulation of indirect 13C-13C J-coupling tensors in diamond clusters hosting the NV center

A. Nizovtsev , A. Pushkarchuk , S. Kuten , D. Michels , D. Lyakhov , N. Kargin , S. Kilin This is my paper

classification quant-ph

keywords centerj-couplingc-13cclustershostingnj-couplingtensorsadamantane

verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved

0 comments

read the original abstract

Using the ORCA 5.0.2 software package we have simulated for a first time the full tensors nJKL (K,L=X,Y,Z), describing n-bond J-coupling of nuclear spins 13C in H-terminated diamond-like clusters C10H16 (adamantane) and C35H36 as well as in the cluster C33[NV-]H36 hosting the negatively charged NV- center. We found that, in addition to usually considered isotropic scalar nJ-coupling constant the anisotropic contributions to the nJ-coupling tensor are essential. We have also shown that the presence of the NV center affects the J-coupling characteristics, especially in the case of 13C-13C pairs located near the vacancy of the NV center.

Simulation of indirect 13C-13C J-coupling tensors in diamond clusters hosting the NV center

discussion (0)