Oxygen Self-Diffusion in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>-Quartz

Roma, Guido; Limoge, Yves; Baroni, Stefano

doi:10.1103/physrevlett.86.4564

Cited by 57 publications

(46 citation statements)

References 18 publications

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“…[36])-are lower than experimental values, which can be of the order of 10-100 keV. However, although the simulations represent time scales lower than experiments, because of the infinitesimally low diffusion coefficient of oxygen atoms in quartz and silica at low temperatures [28], structural defects are unlikely to migrate through the system, even over extended periods of time.…”

Section: A Irradiation Simulationsmentioning

confidence: 79%

“…The irradiation-induced amorphization can occur via different mechanisms [28,29], e.g., accumulation of point defects [30], interface-controlled amorphization [31], multiple cascade overlap [32], in-cascade amorphization [33], or direct impact [29]. In most cases, amorphization is likely to occur through a combination of these processes.…”

Section: A Irradiation Simulationsmentioning

confidence: 99%

“…In most cases, amorphization is likely to occur through a combination of these processes. However, the final irradiated state does not significantly depend on the specific mechanism of amorphization [28,29,34,35]. However, it should be noted that there are certain caveats associated with MD simulations of radiation damage.…”

Section: A Irradiation Simulationsmentioning

confidence: 99%

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Enthalpy Landscape Dictates the Irradiation-Induced Disordering of Quartz

Krishnan

Wang

et al. 2017

Phys. Rev. X

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Under irradiation, minerals tend to experience an accumulation of structural defects, ultimately leading to a disordered atomic network. Despite the critical importance of understanding and predicting irradiationinduced damage, the physical origin of the initiation and saturation of defects remains poorly understood. Here, based on molecular dynamics simulations of α-quartz, we show that the topography of the enthalpy landscape governs irradiation-induced disordering. Specifically, we show that such disordering differs from that observed upon vitrification in that, prior to saturation, irradiated quartz accesses forbidden regions of the enthalpy landscape, i.e., those that are inaccessible by simply heating and cooling. Furthermore, we demonstrate that damage saturates when the system accesses a local region of the enthalpy landscape corresponding to the configuration of an allowable liquid. At this stage, a sudden decrease in the heights of the energy barriers enhances relaxation, thereby preventing any further accumulation of defects and resulting in a defect-saturated disordered state.

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Section: A Irradiation Simulationsmentioning

confidence: 79%

Section: A Irradiation Simulationsmentioning

confidence: 99%

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Enthalpy Landscape Dictates the Irradiation-Induced Disordering of Quartz

Krishnan

Wang

et al. 2017

Phys. Rev. X

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“…The diffusion pathway in oxides depends on the vacancies and interstitial of O atoms. 11,12) Clarifying the effect of SiO helps our understanding of Si missing during oxidation process, and it leads to the fine control of oxidation of threedimensional Si.…”

Section: Introductionmentioning

confidence: 99%

Oxygen concentration dependence of silicon oxide dynamical properties

Yajima¹,

Shiraishi²,

Endoh³

et al. 2018

Jpn. J. Appl. Phys.

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To understand oxidation in three-dimensional silicon, dynamic characteristics of a SiO x system with various stoichiometries were investigated. The calculated results show that the self-diffusion coefficient increases as oxygen density decreases, and the increase is large when the temperature is low. It also shows that the self-diffusion coefficient saturates, when the number of removed oxygen atoms is sufficiently large. Then, approximate analytical equations are derived from the calculated results, and the previously reported expression is confirmed in the extremely low-SiO-density range.

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“…[1][2][3] Many studies have been devoted to dope a-SiO 2 with a semiconductor, in particular Ge ͑Refs. 4-9͒ or rare-earth-element ions.…”

mentioning

confidence: 99%

Achieving epitaxy and intense luminescence in Ge∕Rb-implanted α-quartz

Sahoo

Gąsiorek

Lieb

et al. 2005

Applied Physics Letters

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The luminescence properties of ion-beam doped silica and quartz depend sensitively on the ion species and fluence and the thermal processing during and after ion implantation. In an attempt to achieve high luminescence intensity and full planar recrystallization of α-quartz, we studied double Ge∕Rb-ion implantation, where the Rb ions serve as a catalyst only. Synthetic α-quartz samples were irradiated with 175 keV Rb ions and subsequently with 120 keV Ge ions with fluences of 1×1014–1×1016ions∕cm2 and postannealed at 1170 K in air. A comparative analysis of the epitaxy, migration of the implanted ions, and cathodoluminescence (CL) were carried out. The CL spectra exhibit three strong emission bands in the blue/violet range at 2.95, 3.25, and 3.53 eV, which were assigned to Rb- and/or Ge-related defect centers. For up to 1015 implanted Geions∕cm2, large fraction (75%) of the Ge atoms reach substitutional Si sites after the epitaxy.

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Oxygen Self-Diffusion inα-Quartz

Cited by 57 publications

References 18 publications

Enthalpy Landscape Dictates the Irradiation-Induced Disordering of Quartz

Enthalpy Landscape Dictates the Irradiation-Induced Disordering of Quartz

Oxygen concentration dependence of silicon oxide dynamical properties

Achieving epitaxy and intense luminescence in Ge∕Rb-implanted α-quartz

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