Crystal data for high-pressure phases of silicon

Hu, Jing; Merkle, Larry D.; Menoni, Carmen S.; Spain, Ian L.

doi:10.1103/physrevb.34.4679

Cited by 479 publications

(294 citation statements)

References 30 publications

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“…Our observation is different from that found in high-pressure experiments on c-Si, [36][37][38] where Si-I transforms to Si-II, or to many other crystalline forms, rather than to amorphous phase under high hydrostatic pressure. The absence of a-Si there indicates that plastic deformation is a more effective route to CAT in Si.…”

Section: Discussioncontrasting

confidence: 56%

In situ TEM study of deformation-induced crystalline-to-amorphous transition in silicon

et al. 2016

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The mechanism responsible for deformation-induced crystalline-to-amorphous transition (CAT) in silicon is still under considerable debate, owing to the absence of direct experimental evidence. Here we have devised a novel core/shell configuration to impose confinement on the sample to circumvent early cracking during uniaxial compression of submicron-sized Si pillars. This has enabled large plastic deformation and in situ monitoring of the CAT process inside a transmission electron microscope. We demonstrate that diamond cubic Si transforms into amorphous silicon through slip-mediated generation and storage of stacking faults (SFs), without involving any intermediate crystalline phases. By employing density functional theory simulations, we find that energetically unfavorable single-layer SFs create very strong antibonding interactions, which trigger the subsequent structural rearrangements. Our findings thus resolve the interrelationship between plastic deformation and amorphization in silicon, and shed light on the mechanism underlying deformation-induced CAT in general.

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Section: Discussioncontrasting

confidence: 56%

In situ TEM study of deformation-induced crystalline-to-amorphous transition in silicon

et al. 2016

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“…It is known that hydrostatic stresses cause the transformation of Si-I to Si-II. [26][27][28] The size of this transformation zone developed beneath the indenter tip is approximately $1.25 mm wide and $160 nm deep. Unlike the hemispherical transformation zone observed at low loads on spherical indentation of (100) Si, 1-3 the transformation zone seen in Fig.…”

Section: Methodsmentioning

confidence: 99%

“…2(c)] shows that two of these reflections, labeled 1 and 2, have an interplanar spacing of 0.271 nm and are indexed to be consistent with {211} planes of the body-centered cubic Si-III. 28,29 Furthermore, the interplanar angle of 33.6 between these reflections suggests that they belong to the [ 113] zone axis of this phase. The dark-field image [ Fig.…”

Section: Methodsmentioning

confidence: 99%

“…On the other hand, the hydrostatic stresses (s H ) associated with the Hertzian stress fields beneath the indenter are reported to be responsible for phase transformation in the silicon substrate. [26][27][28] Although the accepted value for the transformation of Si-I to Si-II under pure hydrostatic stress is of the order of 11.3-12.5 GPa, 27,28 the presence of shear stresses during indentation has been reported to lower the transformation pressure to 8 GPa. 18,33 Therefore, it can be assumed that values of this order are required for phase transformation.…”

Section: Elastica Simulationsmentioning

confidence: 99%

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Phase transformations in (111) Si after spherical indentation

Haq

Munroe

2009

J. Mater. Res.

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Phase transformations in (111) Si after spherical indentation have been investigated by cross-sectional transmission electron microscopy. Even at an indentation load of 20 mN, a phase transformation zone including the high-pressure crystalline Si phases was observed within the residual imprints. The volume of the transformation zone, as well as that of the crystalline phases increased with the indentation load. Below the transformation zone, slip was found to occur on {311} planes rather than on {111} planes, usually observed on indentation of (100) Si. The distribution of defects was asymmetric, and for indentation loads up to 80 mN, their density was significantly lower than that reported for (100) Si. The experimental observations correlated well with modeling of the applied stress through ELASTICA.

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“…Si (Ill) ---between I 0 and 0 GPa, a body centered cubic (bee) phase [ 17 ,18], Si (IV) ---a similar quenched phase of Si(III) [13,14], Si (V) ---between 14 and 40 GPa, a primitive hexagonal (ph) phase [ 19 ,20].…”

Section: High Pressure Phases Of Siliconmentioning

confidence: 99%