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<article article-type="research-article" dtd-version="1.3" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xml:lang="ru"><front><journal-meta><journal-id journal-id-type="publisher-id">vestifm</journal-id><journal-title-group><journal-title xml:lang="ru">Известия Национальной академии наук Беларуси. Серия физико-математических наук</journal-title><trans-title-group xml:lang="en"><trans-title>Proceedings of the National Academy of Sciences of Belarus. Physics and Mathematics Series</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">1561-2430</issn><issn pub-type="epub">2524-2415</issn><publisher><publisher-name>The Republican Unitary Enterprise Publishing House "Belaruskaya Navuka"</publisher-name></publisher></journal-meta><article-meta><article-id custom-type="elpub" pub-id-type="custom">vestifm-236</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>ФИЗИКА</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="en"><subject>PHYSICS</subject></subj-group></article-categories><title-group><article-title>СТАБИЛЬНЫЕ ЭЛЕКТРОННО-ЯДЕРНЫЕ СПИНОВЫЕ СИСТЕМЫ NV–13C В АЛМАЗЕ ДЛЯ КВАНТОВЫХ ТЕХНОЛОГИЙ</article-title><trans-title-group xml:lang="en"><trans-title>ROBUST ELECTRONIC-NUCLEAR NV–13C SPIN SYSTEMS IN THE DIAMOND FOR QUANTUM TECHNOLOGIES</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Низовцев</surname><given-names>А. П.</given-names></name><name name-style="western" xml:lang="en"><surname>Nizovtsev</surname><given-names>A. P.</given-names></name></name-alternatives><bio xml:lang="ru"><p>доктор физико- математических наук, ведущий научный сотрудник центра квантовой оптики и квантовой информатики</p></bio><bio xml:lang="en"><p>D. Sc. (Physics and Mathematics), Leading Researcher, Center of Quantum Optics and Quantum Informatics</p></bio><email xlink:type="simple">apniz@ifanbel.bas-net.by</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Пушкарчук</surname><given-names>А. Л.</given-names></name><name name-style="western" xml:lang="en"><surname>Pushkarchuk</surname><given-names>A. L.</given-names></name></name-alternatives><bio xml:lang="ru"><p>кандидат физико-математических наук, старший научный сотрудник лаборатории ионного обмена и сорбции</p></bio><bio xml:lang="en"><p>Ph. D. (Physics and Mathematics), Senior Researcher, Laboratory of Adsorption and Ion Exchange</p></bio><email xlink:type="simple">alexp51@bk.ru</email><xref ref-type="aff" rid="aff-2"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Кутень</surname><given-names>С. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Kuten</surname><given-names>S. A.</given-names></name></name-alternatives><bio xml:lang="ru"><p>кандидат физико-математических наук, заведующий лабораторией теоретической физики и моделирования ядерных процессов</p></bio><bio xml:lang="en"><p>Ph. D. (Physics and Mathematics), Head of the Laboratory of the Theoretical Physics and Simulation of Nuclear Processes</p></bio><email xlink:type="simple">kut@inp.bsu.by</email><xref ref-type="aff" rid="aff-3"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Пушкарчук</surname><given-names>В. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Pushkarchuk</surname><given-names>V. A.</given-names></name></name-alternatives><bio xml:lang="ru"><p>кандидат физико-математических наук, старший научный сотрудник центра 4.11 научно-исследовательской части</p></bio><bio xml:lang="en"><p>Ph. D. (Physics and Mathematics), Senior Researcher, Center 4.11 of the Research Department</p></bio><email xlink:type="simple">vadim@nv-center.com</email><xref ref-type="aff" rid="aff-4"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Килин</surname><given-names>С. Я.</given-names></name><name name-style="western" xml:lang="en"><surname>Kilin</surname><given-names>S. Ya.</given-names></name></name-alternatives><bio xml:lang="ru"><p>академик, доктор физико-математических наук, профессор, заведующий Центром квантовой оптики и квантовой информатики Института физики им. Б. И. Степанова, Национальная академия наук Беларуси; Заместитель Председателя Президиума Национальной академии наук Беларуси</p></bio><bio xml:lang="en"><p>Academician, D. Sc. (Physics and Mathematics), Professor, Head of the Center of Quantum Optics and Quantum Informatics, B. I. Stepanov Institute of Physics of the National Academy of Sciences of Belarus; Deputy Chairman of the Presidium of the National Academy of Sciences of Belarus</p></bio><email xlink:type="simple">kilin@ifanbel.bas-net.by</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Лузанов</surname><given-names>А. В.</given-names></name><name name-style="western" xml:lang="en"><surname>Luzanov</surname><given-names>A. V.</given-names></name></name-alternatives><bio xml:lang="ru"><p>доктор физико- математических наук, ведущий научный сотрудник отдела рентгеноструктурных исследований и квантовой химии</p></bio><bio xml:lang="en"><p>D. Sc. (Physics and Mathematics), Professor, Leading Researcher, Department of X-ray Diffraction Studies and Quantum Chemistry</p></bio><email xlink:type="simple">avluzanov@xray.isc.kharkov.com</email><xref ref-type="aff" rid="aff-5"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Жикол</surname><given-names>О. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Zhikol</surname><given-names>O. A.</given-names></name></name-alternatives><bio xml:lang="ru"><p>кандидат химических наук, научный сотрудник отдела рентгеноструктурных исследований и квантовой химии</p></bio><bio xml:lang="en"><p>Ph. D. (Chemistry), Researcher, Department of X-ray Diffraction Studies and Quantum Chemistry</p></bio><email xlink:type="simple">zhikol@xray.isc.kharkov.com</email><xref ref-type="aff" rid="aff-5"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="ru"><institution>Институт физики им. Б. И. Степанова Национальной академии наук Беларуси, Минск</institution></aff><aff xml:lang="en"><institution>B. I. Stepanov Institute of Physics of the National Academy of Sciences of Belarus, Minsk</institution></aff></aff-alternatives><aff-alternatives id="aff-2"><aff xml:lang="ru"><institution>Институт физико-органической химии Национальной академии наук Беларуси, Минск&#13;
Институт ядерных проблем Белорусского государственного университета, Минск</institution></aff><aff xml:lang="en"><institution>Instituteof Physical-Organic Chemistry of the National Academy of Sciences of Belarus, Minsk&#13;
Institute for Nuclear Problems of the Belarusian State University, Minsk</institution></aff></aff-alternatives><aff-alternatives id="aff-3"><aff xml:lang="ru"><institution>Институт ядерных проблем Белорусского государственного университета, Минск</institution></aff><aff xml:lang="en"><institution>Institute for Nuclear Problems of the Belarusian State University, Minsk</institution></aff></aff-alternatives><aff-alternatives id="aff-4"><aff xml:lang="ru"><institution>Белорусский государственный университет информатики и радиоэлектроники, Минск</institution></aff><aff xml:lang="en"><institution>Belarusian State University of Informatics and Radioelectronics, Minsk</institution></aff></aff-alternatives><aff-alternatives id="aff-5"><aff xml:lang="ru"><institution>Научно-технологический комплекс «Институт монокристаллов»&#13;
Национальной академии наук Украины, Харьков</institution></aff><aff xml:lang="en"><institution>SSI Institute of Single Crystals of the National Academy of Sciences of Ukraine, Kharkiv</institution></aff></aff-alternatives><pub-date pub-type="collection"><year>2017</year></pub-date><pub-date pub-type="epub"><day>30</day><month>04</month><year>2017</year></pub-date><volume>0</volume><issue>1</issue><fpage>98</fpage><lpage>110</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Низовцев А.П., Пушкарчук А.Л., Кутень С.А., Пушкарчук В.А., Килин С.Я., Лузанов А.В., Жикол О.А., 2017</copyright-statement><copyright-year>2017</copyright-year><copyright-holder xml:lang="ru">Низовцев А.П., Пушкарчук А.Л., Кутень С.А., Пушкарчук В.А., Килин С.Я., Лузанов А.В., Жикол О.А.</copyright-holder><copyright-holder xml:lang="en">Nizovtsev A.P., Pushkarchuk A.L., Kuten S.A., Pushkarchuk V.A., Kilin S.Y., Luzanov A.V., Zhikol O.A.</copyright-holder><license xml:lang="ru" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>Данная работа распространяется под лицензией Creative Commons Attribution 4.0.</license-p></license><license xml:lang="en" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>This work is licensed under a Creative Commons Attribution 4.0 License.</license-p></license></permissions><self-uri xlink:href="https://vestifm.belnauka.by/jour/article/view/236">https://vestifm.belnauka.by/jour/article/view/236</self-uri><abstract><p>Методами компьютерной химии рассчитаны матрицы AKL, описывающие сверхтонкое взаимодействие (СТВ) электронного спина центра окраски «азот-вакансия» (NV-центра) в алмазе с ядерным спином атома 13С, который расположен в одном из возможных узлов решетки в пассивированном водородом углеродном кластере С510[NV]H252. Выполнен систематический анализ скоростей W0 переворотов ядерных спинов 13С, индуцируемых их анизотропным СТВ с электронным спином NV-центра. Показано, что в кластере имеются специфические позиции ядерного спина 13С, в которых он практически не испытывает таких переворотов вследствие малости недиагональных элементов в соответствующих матрицах AKL. Определено пространственное расположение найденных позиций стабильности в кластере относительно NV-центра и рассчитаны величины характерных расщеплений в спектрах оптически детектируемого магнитного резонанса (ОДМР) для стабильных систем NV–13C, по которым их можно идентифицировать в процессе их экспериментального поиска для использования в разрабатываемых квантовых технологиях. Показано, что полностью стабильными (W0 = 0) являются позиции ядерного спина, расположенные на оси симметрии NV-центра. Найдены характеристики восьми таких «осевых» систем NV–13C. Впервые обнаружено наличие в кластере дополнительных «неосевых» квазистабильных систем NV–13C, имеющих малые скорости переворотов (W0 .→0) спина 13С вследствие высокой локальной симметрии распределения спиновой плотности, обусловливающей малость недиагональных элементов матриц СТВ для таких систем. Пространственно «не осевые» стабильные системы NV–13C расположены в плоскости, проходящей через вакансию NV-центра перпендикулярно его оси. Выполненный анализ имеющихся литературных данных показал, что, по-видимому, некоторые из предсказанных стабильных систем NV–13C уже наблюдались экспериментально.</p><p> </p></abstract><trans-abstract xml:lang="en"><p>Using the methods of computational chemistry, we calculated matrices AKL describing hyperfine interactions (HFI) between the electron spin of the color ‘nitrogen-vacancy’ center (NV center) in a diamond and a 13C nuclear spin located somewhere in the Н-terminated carbon cluster C510[NV]H252 hosting the NV center. The rates W0 of the 13C spin flip-flops induced by anisotropic HFI are calculated systematically for all possible locations of 13C in the cluster. It is shown that in the cluster, there are specific positions of nuclear 13C spin, in which it almost does not undergo such flip-flops due to small off-diagonal elements in corresponding matrices AKL. Spatial locations of the 13C stability positions in the cluster are discovered and characteristic splitting values in the spectra of optically detected magnetic resonance (ODMR) for the stable NV–13C systems are calculated, which can be utilized to identify them during their experimental search for use in emerging quantum technologies. It is shown that the positions of the 13C nuclear spin located on the NV center symmetry axis are completely stable (W0 = 0). The characteristics of eight ‘axial’ NV–13C systems are elucidated. The presence of additional ‘non-axial’ near-stable NV–13C spin systems also exhibiting very low flip-flop rates (W0 → 0) due to a high local symmetry of the spin density distribution resulting in vanishing the off-diagonal HFI matrix AKL elements for such systems is revealed for the first time. Spatially, these ‘non-axial’ stable NV–13C systems are located near the plane passing through the vacancy of the NV center and being perpendicular to the NV axis. Analysis of the available publications showed that apparently, some of the predicted stable NV–13C systems have already been observed experimentally.</p><p> </p></trans-abstract><kwd-group xml:lang="ru"><kwd>квантовые технологии</kwd><kwd>кубиты</kwd><kwd>NV-центр в алмазе</kwd><kwd>спины</kwd><kwd>сверхтонкое взаимодействие</kwd><kwd>квантово-химическое моделирование</kwd></kwd-group><kwd-group xml:lang="en"><kwd>quantum technologies</kwd><kwd>qubits</kwd><kwd>NV center in diamond</kwd><kwd>spins</kwd><kwd>hyperfine interaction</kwd><kwd>quantum-chemical simulation</kwd></kwd-group></article-meta></front><back><ref-list><title>References</title><ref id="cit1"><label>1</label><citation-alternatives><mixed-citation xml:lang="ru">Dowling, J. P. Quantum technology: the second quantum revolution / J. P. Dowling, G. L. Milburn // Philos. Trans. R. Soc. 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