Thermal expansion of a high purity synthetic diamond single crystal at low temperatures

Sato, Toshimaro; Ohashi, Kazutoshi; Sudoh, Tomoko; Haruna, Katsuji; Maeta, Hiroshi

doi:10.1103/physrevb.65.092102

Cited by 72 publications

(71 citation statements)

References 26 publications

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“…The hydrostatic pressure shifts A of the visible, infrared and spin resonances of NV − have each been measured previously (see table I) [1,28,31]. So has the volume thermal expansion coefficient of diamond, which can be expressed as a power series e(T ) = 4 i=1 e i T i terminating at T 4 for T < 300 K [32]. Importantly, the thermal expansion coefficient depends on the purity of the diamond [32], which is discussed further below.…”

Section: Conduction Bandmentioning

confidence: 95%

“…So has the volume thermal expansion coefficient of diamond, which can be expressed as a power series e(T ) = 4 i=1 e i T i terminating at T 4 for T < 300 K [32]. Importantly, the thermal expansion coefficient depends on the purity of the diamond [32], which is discussed further below. Consequently, ∆E ex (T ) of each resonance can be predicted from previous experimental results.…”

Section: Conduction Bandmentioning

confidence: 99%

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Temperature shifts of the resonances of theNV−center in diamond

et al. 2014

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Significant attention has been recently focussed on the realization of high precision nanothermometry using the spin-resonance temperature shift of the negatively charged nitrogen-vacancy (NV − ) center in diamond. However, the precise physical origins of the temperature shift is yet to be understood. Here, the shifts of the center's optical and spin resonances are observed and a model is developed that identifies the origin of each shift to be a combination of thermal expansion and electron-phonon interactions. Our results provide new insight into the center's vibronic properties and reveal implications for NV − thermometry.PACS numbers: 63.20.kp, 61.72.jn, 76.70.hb The negatively charged nitrogen-vacancy (NV − ) center in diamond [1] is an important quantum technology platform for a range of new applications exploiting quantum coherence. Beyond quantum information processing, the prospect of employing the NV − center as a room temperature nanoscale electric and magnetic field sensor has attracted considerable interest [2][3][4][5][6][7]. Recently, the effects of temperature on the center's ground state spin resonance have been investigated [9], which enabled the influence of temperature on existing NV − metrology applications to be characterized and new thermometry applications to be proposed [8][9][10][11] and demonstrated [12][13][14]. However, the temperature shift of the center's spin resonance is not well understood and previous attempts at modelling the shift have been largely unsuccessful [9][10][11]. It is evident that the implementation of the NV − center as a nano-thermometer, magnetometer or electrometer requires a thorough understanding of the temperature shifts of its resonances, particularly if these implementations are designed for ambient conditions [15]. Here, the temperature shifts of the center's visible, infrared and spin resonances are observed and a model is developed that identifies the origin of each shift to be a combination of thermal expansion and electron-phonon interactions. This new insight reveals implications for NV − metrology.The NV − center is a C 3v point defect in diamond consisting of a substitutional nitrogen atom adjacent to a carbon vacancy that has trapped an additional electron (refer to Fig. 1a). As depicted in Fig. 1b, the oneelectron orbital level structure of the NV − center contains three defect orbital levels (a 1 , e x and e y ) deep within the diamond bandgap. Electron paramagnetic resonance (EPR) observations and ab initio calculations indicate that these defect orbitals are highly localized to the center [16][17][18][19][20]. Figure 1c shows the center's manyelectron electronic structure generated by the occupation of the three defect orbitals by four electrons [21,22], including the low-temperature zero phonon line (ZPL) energies of the visible (E V ∼1.946 eV) [23] and infrared (E IR ∼1.19 eV) [24][25][26] transitions. The energy separations of the spin triplet and singlet levels ( 3 A 2 ↔ 1 E and 1 A 1 ↔ 3 E) are unknown. As depicted in the inset of Fig...

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Section: Conduction Bandmentioning

confidence: 95%

Section: Conduction Bandmentioning

confidence: 99%

Temperature shifts of the resonances of theNV−center in diamond

et al. 2014

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“…We have also studied PP carbon diamond with the experimental cubic lattice constant of 6.741 a.u., 47 representing the solid by a 2 × 2 × 2 supercell containing 16 atoms subject to periodic boundary conditions. Diamond is an insulator with a large band gap, and therefore we expect the single-determinant nodal surface to be quite accurate.…”

Section: Pp Diamondmentioning

confidence: 99%

Inhomogeneous backflow transformations in quantum Monte Carlo calculations

et al. 2006

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An inhomogeneous backflow transformation for many-particle wave functions is presented and applied to electrons in atoms, molecules, and solids. We report variational and diffusion quantum Monte Carlo (VMC and DMC) energies for various systems and study the computational cost of using backflow wave functions. We find that inhomogeneous backflow transformations can provide a substantial increase in the amount of correlation energy retrieved within VMC and DMC calculations. The backflow transformations significantly improve the wave functions and their nodal surfaces.

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“…[14]. Detailed experimental investigations of a(T ) in the low temperature (LT) range have been performed using the Bond method for diamond single crystals [15,16]. In Ref.…”

Section: Introductionmentioning

confidence: 99%

“…In Ref. [16], some influence of doping on thermal expansion has been found. Recently, similar observations (an increase of the a(T ) slope) have been made also for polycrystalline diamond (in 90-300 K range, only) [17]; moreover, boron doping causes a reduction of the lattice parameter value.…”

Section: Introductionmentioning

confidence: 99%

Lattice Parameter of Polycrystalline Diamond in the Low-Temperature Range

et al. 2010

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The lattice parameter for polycrystalline diamond is determined as a function of temperature in the 4-300 K temperature range. In the range studied, the lattice parameter, expressed in angstrom units, of the studied sample increases according to the equation a = 3.566810(12) + 6.37(41) × 10 −14 T 4 (approximately, from 3.5668 to 3.5673 Å). This increase is larger than that earlier reported for pure single crystals. The observed dependence and the resulting thermal expansion coefficient are discussed on the basis of literature data reported for diamond single crystals and polycrystals.

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Thermal expansion of a high purity synthetic diamond single crystal at low temperatures

Cited by 72 publications

References 26 publications

Temperature shifts of the resonances of theNV−center in diamond

Temperature shifts of the resonances of theNV−center in diamond

Inhomogeneous backflow transformations in quantum Monte Carlo calculations

Lattice Parameter of Polycrystalline Diamond in the Low-Temperature Range

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