diamond_vacancy.m

Vacancy-family defect spin systems for diamond. R4/W6 parameters are from Twitchen et al., Phys. Rev. B 59, 12900 (1999), DOI link; W29 parameters from Kirui et al., Diam. Relat. Mater. 8, 1569 (1999), DOI link; R5/O1/R6/R10/R11 parameters from Iakoubovskii and Stesmans, Phys. Rev. B 66, 045406 (2002), DOI link; ZFS table values cross-checked against Ball, PhD thesis, OIST Graduate University (2021).

The spin system contains a single electron: spin-1 for every centre except W29, which is spin-3/2. Three principal axis frames are used. The R4/W6 frame has its x axis along [1-10] and its z axis at a polar angle of 54.2 degrees and an azimuth of 45 degrees. The W29 frame has its x axis along [0-11] and its z axis along [0.619 -0.556 -0.556]. The vacancy-chain centres R5, O1, R6, R10 and R11 use a frame with the x axis along [-110], the y axis along [001] and the z axis along [110]. The g-tensor and the zero-field splitting tensor of the selected centre are built in the corresponding frame, rotated by the matrix that aligns the requested crystal plane normal with the magnetic field direction, and returned in the zeeman.matrix and coupling.matrix fields; the zero-field splitting is converted into irreducible spherical form by mat2ias.m.

Syntax

    [sys,inter]=diamond_vacancy(parameters)

Parameters

    parameters is a structure with the following fields:

      .centre       - 'r4_w6', 'w6', 'r4', 'w29', 'r5', 'o1',
                      'r6', 'r10', or 'r11'

      .orientation  - '111', '110', or '100' crystal plane normal
                      aligned with the magnetic field

Outputs

    sys   - Spinach system specification structure

    inter - Spinach interaction specification structure

Notes

The zero-field splitting is specified by its principal values rather than by D and E. In MHz, these are [105 197 -303] for R4/W6, [297 156 -453] for W29, [283 244 -524] for R5, [109 95 -205] for O1, [62 59 -120] for R6, [36 36 -73] for R10, and [27 27 -53] for R11. The 'r4_w6', 'w6' and 'r4' identifiers all select the same parameter set.

See also

diamond_n_inter.m, diamond_nvm_gs.m, diamond_ov0.m, diamond_r2.m, mat2ias.m, rotmat_align.m, Import,_export,_and_visualisation

Version 2.11, authors: Alexey Bogdanov