Color-center creation in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">LiF</mml:mi></mml:mrow></mml:math>under irradiation with swift heavy ions: Dependence on energy loss and fluence

Schwartz, K.; Trautmann, C.; El-Said, A.S.; Neumann, R.; Toulemonde, M.; Knolle, Wolfgang

doi:10.1103/physrevb.70.184104

Cited by 85 publications

(85 citation statements)

References 26 publications

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“…For the excited state, the same procedure was applied within one of the B u symmetries. For the medium cluster and medium basis set, the largest CASs tested were (19,13) corresponding to 19 electrons in 13 orbitals and (17,11) for the ground and excited state, respectively, leading to only small shifts of the total energies. This indicates the strong dominance of a single configuration.…”

Section: Quantum-chemistry Methods and Cluster Sizementioning

confidence: 99%

“…The host LiF is a prototypical wide-band-gap insulator with the largest known band gap [11] of 14.2 eV. Dawson and Pooley [12], Schwartz et al [13], and Baldacchini et al [14] observed the maximum of its experimental absorption peak at 5.08 eV (T ≈ 5 K), at 4.98 eV (room temperature), and at 5.07 eV (room temperature) by optical absorption spectroscopy, respectively.…”

Section: Introductionmentioning

confidence: 99%

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Fcenter in lithium fluoride revisited: Comparison of solid-state physics and quantum-chemistry approaches

Karsai¹,

Tiwald²,

Laskowski³

et al. 2014

Phys. Rev. B

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We revisit the theoretical description of the F color center in lithium fluoride employing advanced complementary ab initio techniques. We compare the results from periodic supercell calculations involving density-functional theory (DFT) and post-DFT techniques with those from the embedded-cluster approach involving quantumchemical many-electron wave-function techniques. These alternative approaches yield results in good agreement with each other and with the experimental data provided that correlation effects are properly taken into account.

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Section: Quantum-chemistry Methods and Cluster Sizementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Fcenter in lithium fluoride revisited: Comparison of solid-state physics and quantum-chemistry approaches

Karsai¹,

Tiwald²,

Laskowski³

et al. 2014

Phys. Rev. B

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“…Compared to room temperature, the creation of complex electron centers (F 2 ) is limited due to the low mobility of F centers, but the concentration of F centers is comparable ( Fig. 1 a and b) [27]. This is clearly different from x ray irradiation performed at T irr = 4 K, where the concentration of F centers is significantly reduced [26].…”

Section: Color Center Creations Under Heavy Ion Irradiationmentioning

confidence: 92%

“…For irradiation at room temperature, the evolution of complex electron centers (F n ) as a function of the fluence is important (Fig. 1 c) [17,27]. At high fluences, ion tracks overlap leading to a strong increase of c) d) the concentration of complex electron centers F n (with n being 2, 3, or 4).…”

Section: Color Center Creations Under Heavy Ion Irradiationmentioning

confidence: 96%

Fast ion induced damage in ionic crystals

Schwartz¹

2005

phys. stat. sol. (c)

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This report reviews typical radiation effects in ionic crystals (alkali halides, alkaline earth halides, LaF 3 , ZrO 2 , HfO 2 , etc) induced by heavy ions of MeV-GeV energy. Details of color centers and defect aggregates in LiF crystals by irradiation with many different ions (from He up to U) in a wide range of temperature (15 K -800 K) are presented. Threshold effects and ion-induced damage efficiencies in various other ionic crystals are discussed.

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“…the incubation fluence effect providing the initial changes of the optical properties of alkali-halides irradiated with SHIs (e.g. bleaching) [33,34] due to impurity neutralization by fast electrons at large distances from the ion trajectories. The spectra of electrons emitted from the surface of irradiated target [35] predicted by different models of atomic ionizations in SHI tracks should also be different.…”

Section: Spatial Propagation Of Electronic Excitationsmentioning

confidence: 99%

Effect of interaction of atomic electrons on ionization of an insulator in swift heavy ion tracks

Баранов

Medvedev

Волков

et al. 2012

Nuclear Instruments and Methods in Physics Research Section B:

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a b s t r a c tEffects of applications of two different models of atomic ionizations in MC simulations describing excitation of the electronic subsystem of an insulator in tracks of swift heavy ions decelerated in the electronic stopping regime are investigated. The first mechanism is based on binary collisions of a fast projectile with atomic electrons considered as independent. The second one assumes redistribution of the energy transferred to an atom from an ion between the atomic electrons before autoionization of the excited atom. It is demonstrated that an appreciable difference occurs only in the kinetics of the most energetic electrons appeared during the ionization. This difference affects only a small fraction of the excess electronic energy in the far periphery of a track.

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Color-center creation inLiFunder irradiation with swift heavy ions: Dependence on energy loss and fluence

Cited by 85 publications

References 26 publications

Fcenter in lithium fluoride revisited: Comparison of solid-state physics and quantum-chemistry approaches

Fcenter in lithium fluoride revisited: Comparison of solid-state physics and quantum-chemistry approaches

Fast ion induced damage in ionic crystals

Effect of interaction of atomic electrons on ionization of an insulator in swift heavy ion tracks

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