Modeling of Impurity Transport and Point Defect Formation during Cz Si Crystal Growth

ABSTRACTIntrinsic point defects determine to a large extent the semiconductor crystal quality both mechanically and electrically not only during crystal growth or when tuning polished wafer properties by thermal treatments, but also and not the least during device processing. Point defects play e.g. a crucial role in dopant diffusion and activation, in gettering processes and in extended lattice defect formation.Available experimental data and results of numerical calculation of the formation energy and diffusivity of the intrinsic point defects in Si and Ge are compared and discussed. Intrinsic point defect clustering is illustrated by defect formation during Czochralski crystal growth.

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Modelling of Thermal Field and Point Defect Dynamics During Silicon Single Crystal Growth Using CZ Technique

Proceedings of the VIII International Scientific Colloquium "Modelling for Materials Processing" ◽

10.22364/mmp2017.7 ◽

2017 ◽

Author(s):

Andrejs Sabanskis ◽

Jānis Virbulis

Keyword(s):

Crystal Growth ◽

Single Crystal ◽

Point Defect ◽

Thermal Field ◽

Single Crystal Growth ◽

Silicon Single Crystal ◽

Point Defect Dynamics

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Energetics of point defect formation in Ni3Al

Scripta Materialia ◽

10.1016/s1359-6462(01)01194-0 ◽

2002 ◽

Vol 46 (1) ◽

pp. 37-41 ◽

Cited By ~ 26

Author(s):

Hannes Schweiger ◽

Olga Semenova ◽

Walter Wolf ◽

Wolfgang Püschl ◽

Wolfgang Pfeiler ◽

...

Keyword(s):

Point Defect ◽

Defect Formation

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Effects of Convective Solute and Impurity Transport in Protein Crystal Growth

The Journal of Physical Chemistry B ◽

10.1021/jp973123n ◽

1998 ◽

Vol 102 (26) ◽

pp. 5208-5216 ◽

Cited By ~ 57

Author(s):

Peter G. Vekilov ◽

Bill R. Thomas ◽

Franz Rosenberger

Keyword(s):

Crystal Growth ◽

Protein Crystal ◽

Impurity Transport ◽

Protein Crystal Growth

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Point defect formation and annihilation in silica glass by heat-treatment: Role of water and stress

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2007.08.039 ◽

2008 ◽

Vol 354 (14) ◽

pp. 1509-1515 ◽

Cited By ~ 9

Author(s):

J.-W. Lee ◽

M. Tomozawa ◽

R.K. MacCrone

Keyword(s):

Heat Treatment ◽

Point Defect ◽

Silica Glass ◽

Defect Formation

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Point defect formation near the epitaxial Ge(001) growth surface and the impact on phosphorus doping activation

Journal of Applied Physics ◽

10.1063/5.0064952 ◽

2021 ◽

Vol 130 (12) ◽

pp. 125702

Author(s):

Anurag Vohra ◽

Geoffrey Pourtois ◽

Roger Loo ◽

Wilfried Vandervorst

Keyword(s):

Point Defect ◽

Defect Formation ◽

Growth Surface ◽

Phosphorus Doping ◽

The Impact

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On the ab initio calculation of vibrational formation entropy of point defect: the case of the silicon vacancy

EPJ Photovoltaics ◽

10.1051/epjpv/2017006 ◽

2017 ◽

Vol 8 ◽

pp. 85505 ◽

Cited By ~ 2

Author(s):

Pia Seeberger ◽

Julien Vidal

Keyword(s):

Point Defect ◽

First Principles ◽

Defect Formation ◽

Finite Size ◽

Direct Calculation ◽

Finite Size Effects ◽

Numerical Errors ◽

Silicon Vacancy ◽

Size Dependent ◽

Very High

Formation entropy of point defects is one of the last crucial elements required to fully describe the temperature dependence of point defect formation. However, while many attempts have been made to compute them for very complicated systems, very few works have been carried out such as to assess the different effects of finite size effects and precision on such quantity. Large discrepancies can be found in the literature for a system as primitive as the silicon vacancy. In this work, we have proposed a systematic study of formation entropy for silicon vacancy in its 3 stable charge states: neutral, +2 and –2 for supercells with size not below 432 atoms. Rationalization of the formation entropy is presented, highlighting importance of finite size error and the difficulty to compute such quantities due to high numerical requirement. It is proposed that the direct calculation of formation entropy of VSi using first principles methods will be plagued by very high computational workload (or large numerical errors) and finite size dependent results.

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