Modelling of Crystal Growth Processes

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystal Engineering".

Deadline for manuscript submissions: 15 July 2024 | Viewed by 3449

Special Issue Editor


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Guest Editor
Head of Laboratory of Semiconductor Technologies, Institute of Numerical Modelling, University of Latvia, Jelgavas str 3, LV-1004 Riga, Latvia
Interests: Modelling of crystal growth processes; Floating zone growth; CFD; Heat transfer

Special Issue Information

Dear Colleagues,

This Special Issue is devoted to the numerical modelling and simulation of crystal growth processes from the melt. The main goals of the modelling are to understand the physics of the process and to support its development. The simulation considers important physical effects that connect the process parameters to the quality and shape of crystals and the yield of the process. Although the simulations are carried out for decades, the continuously growing requirements for crystal quality force us to develop more precise models and to consider further effects. Besides hot zone design, the precise control of melt flow is important for the optimal crystal growth conditions, controlled incorporation of impurities and point defects as well as prevention or control of dislocation density.

The topics include, but are not limited to: Czochralski (Cz) process, Floating zone (FZ) process, new growth concepts, semiconducting materials (Si, Ge, GaAs), oxide crystals, melt flow, dopant transport, magnetic fields, defect dynamics, dislocations, facet growth, experimental verification of models, and use of high performance computing (HPC).

Dr. Janis Virbulis
Guest Editor

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Keywords

  • modelling
  • crystal growth
  • Cz process
  • FZ process

Published Papers (3 papers)

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Research

14 pages, 4463 KiB  
Article
Axial Vibration Control Technique for Crystal Growth from the Melt: Analysis of Vibrational Flows’ Behavior
by Oleg Nefedov, Alexey Dovnarovich, Vladimir Kostikov, Boris Levonovich and Igor Avetissov
Crystals 2024, 14(2), 126; https://doi.org/10.3390/cryst14020126 - 26 Jan 2024
Cited by 1 | Viewed by 855
Abstract
A problem of efficacy of crystal growth methods for crystallization from solutions or melt has been investigated. The axial vibrational control (AVC) technique was considered as a perspective method to manage both heat-mass transfer and chemical component composition of the melts in the [...] Read more.
A problem of efficacy of crystal growth methods for crystallization from solutions or melt has been investigated. The axial vibrational control (AVC) technique was considered as a perspective method to manage both heat-mass transfer and chemical component composition of the melts in the case of crystallization of complex chemical compounds. Numerical modeling and the search for generalized dependencies made it possible to predict the AVC parameters that provide optimal heat and mass transfer modes for creating flat liquid-solid interfaces, as well as the component composition of dissociated melts of various chemical compounds—Ge, NaNO3, CdTe. Full article
(This article belongs to the Special Issue Modelling of Crystal Growth Processes)
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10 pages, 2827 KiB  
Article
Wafer-Scale Emission Energy Modulation of Indium Flushed Quantum Dots
by Nikolai Spitzer, Nikolai Bart, Hans-Georg Babin, Marcel Schmidt, Andreas D. Wieck and Arne Ludwig
Crystals 2023, 13(12), 1657; https://doi.org/10.3390/cryst13121657 - 30 Nov 2023
Viewed by 849
Abstract
Semiconductor self-assembled quantum dots (QDs) have garnered immense attention for their potential in various quantum technologies and photonics applications. Here, we explore a novel approach for fine-tuning the emission wavelength of QDs by building upon the indium flush growth method: Submonolayer variations in [...] Read more.
Semiconductor self-assembled quantum dots (QDs) have garnered immense attention for their potential in various quantum technologies and photonics applications. Here, we explore a novel approach for fine-tuning the emission wavelength of QDs by building upon the indium flush growth method: Submonolayer variations in the capping thickness reveal a non-monotonic progression, where the emission energy can decrease even though the capping thickness decreases. indium flush, a well-known technique for inducing blue shifts in quantum dot emissions, involves the partial capping of QDs with GaAs followed by a temperature ramp-up. However, our findings reveal that the capping layer roughness, stemming from fractional monolayers during overgrowth, plays a pivotal role in modulating the emission energy of these QDs. We propose increased indium interdiffusion between the QDs and the surrounding GaAs capping layer for a rough surface surrounding the QD as the driving mechanism. This interdiffusion alters the indium content within the QDs, resulting in an additional emission energy shift, counterintuitive to the capping layer’s thickness increase. We utilize photoluminescence spectroscopy to generate wafer maps depicting the emission spectrum of the QDs. Using thickness gradients, we produce systematic variations in the capping layer thickness on 3″ wafers, resulting in modulations of the emission energy of up to 26 meV. Full article
(This article belongs to the Special Issue Modelling of Crystal Growth Processes)
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13 pages, 8209 KiB  
Article
Dynamic Simulation of the Temperature Field of LiH Single Crystal Growth
by Yingwu Jiang, Donghua Xie, Jiliang Wu, Huan Li, Jipeng Zhu, Muyi Ni, Tao Gao and Xiaoqiu Ye
Crystals 2023, 13(3), 504; https://doi.org/10.3390/cryst13030504 - 15 Mar 2023
Cited by 1 | Viewed by 1307
Abstract
The single-crystal lithium hydride (LiH) generally grows in a gradient temperature region with the Bridgman method. A stable and appropriate temperature gradient is crucial in the crystallization process. In this paper, the temperature variation of single-crystal LiH growth is calculated by the finite [...] Read more.
The single-crystal lithium hydride (LiH) generally grows in a gradient temperature region with the Bridgman method. A stable and appropriate temperature gradient is crucial in the crystallization process. In this paper, the temperature variation of single-crystal LiH growth is calculated by the finite element method (FEM). It is shown that the LiH compact melted entirely after heating to 750 °C at 10 °C/min in a dual-temperature furnace and holding for 2.4 h. The crystallization margin was 46.5 °C after holding for 5 h. The crystallization margin of LiH at the cone point, respectively, decreased to 33.7 °C, 28.6 °C, 25.6 °C, and 16.5 °C when the upper furnace was maintained at 750 °C, and lower furnace was cooled to 680 °C, 650 °C, 630 °C, and 550 °C, respectively. The optimal conditions for obtaining large size and high-quality LiH single crystals were predicted to be 630 °C at a lower-temperature-zone, 200 mL/min (cooling water flux), and 20 mm/h rise rate of the furnace. Based on the parameters of the above simulation, we synthesized LiH single crystal. X-ray diffraction (XRD) patterns showed that the LiH single crystal exhibited a (2 0 0) crystallographic plane at 44.5° with good chemical stability in air. Full article
(This article belongs to the Special Issue Modelling of Crystal Growth Processes)
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