Identification of individual 13C isotopes of nitrogen-vacancy center in diamond by combining the polarization studies of nuclear spins and first-principles calculations

被引：47

作者：

Gali, Adam ^{[1
,2
,3
]}

机构：

[1] Budapest Univ Technol & Econ, Dept Atom Phys, H-1111 Budapest, Hungary

[2] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA

[3] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA

来源：

PHYSICAL REVIEW B | 2009年 / 80卷 / 24期

关键词：

ab initio calculations; diamond; dynamic nuclear polarisation; energy level crossing; excited states; ground states; hyperfine interactions; vacancies (crystal); COHERENT DYNAMICS; ELECTRONIC SPIN; SINGLE SPINS; RESONANCE;

D O I：

10.1103/PhysRevB.80.241204

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We determine the charge- and spin-density distributions of nitrogen-vacancy center in diamond for both the ground and excited states by ab initio supercell calculations yielding very good agreement with the experiment. We correctly determine the polarization of N-15 nuclear spin in the level anticrossing (LAC) mechanism. We show that LAC together with the accurate ab initio data can be used to identify the individual C-13 nuclei around the defect that can also reveal the dominant component of the precession vector responsible for the decoherence of the addressed nuclear-spin qubit.

引用

页数：4

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