Extended Point Defect Structures at Intersections of Screw Dislocations in Si: A Molecular Dynamics Study

Belov, A. Yu.; Scheerschmidt, K.; Gösele, U.

doi:10.1002/(sici)1521-396x(199901)171:1<159::aid-pssa159>3.0.co;2-i

Cited by 13 publications

(3 citation statements)

References 15 publications

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“…The resulting avalanche effect implies the bonding of the lower terraces, too. However, after bonding over double layer steps a disturbed interface and defects are left which may finally relax to 60ÛÃ hvhyÃ qvyphtions or shuffle-set dislocations accompanied by a row of vacancies [8][9][10]. Monolayer steps rotate the dimerization direction in the neighbouring domains and give rise to a stacking fault of either intrinsic or extrinsic type, depending on the dimer orientation in the adjacent terraces.…”

Section: Resultsmentioning

confidence: 99%

“…The MD simulations have successfully been used to describe ultra-high-vacuum bonding experiments for Si(100) [6], hydrogen passivated hydrophobic bonding processes [7], and to analyze the defect structure at bonded interfaces [8][9][10]. Simulations for SiC [11] were possible using the Tersoff [12] potential, whereas the predictions of the bondability of diamond have been performed using a bond-order potential [13].…”

Section: Introductionmentioning

confidence: 99%

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Molecular dynamics simulations of wafer bonding

Scheerschmidt

2001

MRS Proc.

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Molecular dynamics simulations using empirical potentials have been employed to describe atomic interactions at interfaces created by the macroscopic wafer bonding process. Investigating perfect or distorted surfaces of different semiconductor materials as well as of silica enables one to study the elementary processes and the resulting defects at the interfaces, and to characterize the ability of the potentials used. Twist rotation due to misalignment and bonding over steps influence strongly the bondability of larger areas. Empirical potentials developed by the bond order tight-binding approximation include ∏-bonds and yield enhanced interface structures, energies, and transferability to new materials systems.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Molecular dynamics simulations of wafer bonding

Scheerschmidt

2001

MRS Proc.

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“…11 To describe the interactions between silicon atoms, we use the Tersoff interatomic potential, 9 which has been used to predict structural properties of bulk a͒ silicon, 1 silicon surfaces, 12 and silicon defects. 13 To investigate the dependence of thermal properties on size along a particular direction ͑e.g., the thickness direction͒, we model the infinite silicon slab by applying the periodic boundary condition along the two in-plane directions. To eliminate periodicity along the thickness direction, a vacuum space of 3.0 nm is added on either side of the surface.…”

Section: Simulation Detailsmentioning

confidence: 99%

Size and surface orientation effects on thermal expansion coefficient of one-dimensional silicon nanostructures

Zhao

Aluru

2009

Journal of Applied Physics

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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 amplitude of surface atoms, lattice constant, and thermal expansion coefficient as a function of size and temperature, and compare them for different surface orientations. An analytical expression is developed to compute the variation of the thermal expansion coefficient with size of the nanostructure.

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Grain Boundaries in Semiconductors

Thibault

Bourret

2013

Materials Science and Technology

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The sections in this article are Introduction Grain Boundary Structure: Concepts and Tools Grain Boundary Definitions Geometrical Concepts Dislocation Model Primary Dislocation Network Secondary Dislocation Network Stress Field Associated with Grain Boundaries Structural Unit Descriptions Stick and Ball Structural Units Energetic Structural Units Algebraic Structural Units Structural Units and Dislocations/Disclinations The Limits of the Structural Unit Descriptions Computer Simulation Techniques Methods Boundary Conditions Interaction Laws Experimental Techniques Grain Boundary Structure: Experience and Simulation Results Silicon and Germanium Tilt Grain Boundaries Twist Grain Boundaries Diamond Si C Ga As Ga N Al N Ni O Comments on Grain Boundary Structures Electrical Properties of Grain Boundaries Introduction Electrical Effects Induced by Grain Boundaries Electronic States Associated with a Grain Boundary Potential Barrier and Transport Properties Dynamic Properties and Recombination Properties Experimental Methods for Measuring the Grain Boundary Electrical Activity Methods Based on Transport Transient Methods Correlation Between Electrical Activity and Structure Transport Experiments in Bicrystals Transient Properties Measured on Bicrystals Emission and Capture Properties of Silicon and Germanium Grain Boundaries Polycrystalline Silicon Intrinsic or Extrinsic Origin of Electrical Activity of Grain Boundaries Impurity Segregation and Precipitation Induced by Grain Boundaries Introduction Dopant Elements Oxygen and Sulfur Transition Elements Copper Nickel Iron Conclusions Mechanical Properties of Grain Boundaries in Semiconductors Introduction Interaction Between Dislocations and Grain Boundaries Dislocation Absorption Dislocation Transmission Across Grain Boundaries Grain Boundaries as a Dislocation Source Grain Boundary Dislocation Movement Physical Consequences Grain Boundary Migration Recovery of the Grain Boundary Structure and Cavitation Deformation Modelling Conclusions

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Extended Point Defect Structures at Intersections of Screw Dislocations in Si: A Molecular Dynamics Study

Cited by 13 publications

References 15 publications

Molecular dynamics simulations of wafer bonding

Molecular dynamics simulations of wafer bonding

Size and surface orientation effects on thermal expansion coefficient of one-dimensional silicon nanostructures

Grain Boundaries in Semiconductors

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