TY - JOUR

T1 - New Data on the Structure of Diamond Single Crystals with a High Concentration of Nitrogen Centers

AU - Gromilov, S. A.

AU - Yelisseyev, A. P.

N1 - The work was supported by the Ministry of Science and Higher Education of the Russian Federation (grant 121031700313-8). The work was performed within the State Assignment for the Sobolev Institute of Geology and Mineralogy, Siberian Branch, Russian Academy of Sciences (No. 122041400157-9). Публикация для корректировки.

PY - 2023/11

Y1 - 2023/11

N2 - Natural diamonds with a high concentration of nitrogen centers (Kumdykul deposit, North Kazakhstan) are studied. According to the IR spectroscopic data, the concentration of nitrogen C- and A-centers is several hundred ppm at a total concentration above 1000 ppm. At 532 nm excitation the low-temperature photoluminescence (PL) spectra demonstrate dominant luminescence in the 638 nm system, which is caused by negatively charged nitrogen-vacancy (NV–) pairs. The latter is a consequence of a high concentration of donor nitrogen atoms. One electron is transferred from a donor nitrogen atom to the NV pair. Broad bands with maxima at 530 nm and 590 nm correspond to H3 and 575 nm systems: NVN and NV0 complexes. Strong broadening of the diamond Raman line up to 6.5 cm–1 is observed along with the broadening of 503.2 nm, 575.0 nm, and 638.0 nm zero-phonon lines in the PL spectra up to their complete disappearance. This is explained by a high concentration of NVN(H3), NV0, and NV– centers, respectively, as well as structural defects. The unit cell parameters of single crystals are refined by the original procedure. The obtained value of 3.5675(1) Å corresponds (within the measurement error) to the maximum value known for these diamonds.

AB - Natural diamonds with a high concentration of nitrogen centers (Kumdykul deposit, North Kazakhstan) are studied. According to the IR spectroscopic data, the concentration of nitrogen C- and A-centers is several hundred ppm at a total concentration above 1000 ppm. At 532 nm excitation the low-temperature photoluminescence (PL) spectra demonstrate dominant luminescence in the 638 nm system, which is caused by negatively charged nitrogen-vacancy (NV–) pairs. The latter is a consequence of a high concentration of donor nitrogen atoms. One electron is transferred from a donor nitrogen atom to the NV pair. Broad bands with maxima at 530 nm and 590 nm correspond to H3 and 575 nm systems: NVN and NV0 complexes. Strong broadening of the diamond Raman line up to 6.5 cm–1 is observed along with the broadening of 503.2 nm, 575.0 nm, and 638.0 nm zero-phonon lines in the PL spectra up to their complete disappearance. This is explained by a high concentration of NVN(H3), NV0, and NV– centers, respectively, as well as structural defects. The unit cell parameters of single crystals are refined by the original procedure. The obtained value of 3.5675(1) Å corresponds (within the measurement error) to the maximum value known for these diamonds.

KW - IR spectroscopy

KW - diamond

KW - nitrogen centers in the diamond

KW - refinement of unit cell parameters

KW - single crystal X-ray diffraction

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85178227271&origin=inward&txGid=a76b92ba26e2d887a294c0f9be7fcdeb

UR - https://www.mendeley.com/catalogue/b7a85c8d-bc0f-3138-8533-9f5a352b1297/

U2 - 10.1134/S002247662311015X

DO - 10.1134/S002247662311015X

M3 - Article

VL - 64

SP - 2178

EP - 2186

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 11

ER -