2009
DOI: 10.1063/1.3126499
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Size and surface orientation effects on thermal expansion coefficient of one-dimensional silicon nanostructures

Abstract: We perform classical molecular dynamics simulations based on the Tersoff interatomic potential to investigate the size and surface orientation dependence of lattice constant and thermal expansion coefficient of one-dimensional silicon nanostructures. Three different surface orientations of silicon are considered, i.e., Si͑110͒, Si͑111͒, and Si͑100͒ with 2 ϫ 1 reconstruction. For each surface orientation, we investigate nanostructures with thicknesses ranging from 0.3 to 5.0 nm. We compute the vibrational ampli… Show more

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Cited by 14 publications
(10 citation statements)
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“…In fact, the Tersoff potential used in this study was employed to investigate surface reconstruction of Si. 81,82 Accordingly, we prepared Si/n-graphene/Si samples with (111) reconstructed surfaces.…”
Section: Effect Of Surface Reconstruction Crystallographic Orientmentioning
confidence: 99%
“…In fact, the Tersoff potential used in this study was employed to investigate surface reconstruction of Si. 81,82 Accordingly, we prepared Si/n-graphene/Si samples with (111) reconstructed surfaces.…”
Section: Effect Of Surface Reconstruction Crystallographic Orientmentioning
confidence: 99%
“…2(e)) at room temperature. 28,29 Often, these dangling bonds are terminated with hydrogen atoms to avoid surface reconstruction and other forms of surface defects. We first look into the case of hydrogen (H) terminated silicon surface.…”
Section: Resultsmentioning
confidence: 99%
“…The variation in dimensions are calculated using the thermal expansion coefficients for silicon: α [110] and α [100] , corresponding to the length and thickness of the layer respectively, taken from [14]. The new dimension at a temperature T in…”
Section: ) Thermal Expansionmentioning
confidence: 99%
“…T + 120 (13) 8) Heat capacity at constant pressure C p : The silicon molar heat capacity at constant pressure is linked to the temperature in Kelvin T k by equation (14). Expressing temperature in Celsius units and dividing by the silicon molar mass leads to the expression of C p as a function of temperature given in (16).…”
Section: ) Thermal Expansionmentioning
confidence: 99%