大尺寸晶体快速生长理论与技术的研究进展

人工晶体学报 ›› 2022, Vol. 51 ›› Issue (9-10): 1732-1744.

大尺寸晶体快速生长理论与技术的研究进展

刘锋¹, 陈昆峰², 彭超¹, 薛冬峰¹

1.中国科学院深圳先进技术研究院多尺度晶体材料研究中心,深圳 518055;
2.山东大学新一代半导体材料研究院晶体材料国家重点实验室,济南 250100

收稿日期:2022-08-03 出版日期:2022-10-15 发布日期:2022-11-02
通信作者: 薛冬峰,博士,研究员。E-mail:df.xue@siat.ac.cn
作者简介:刘锋(1990—),男,湖南省人,博士研究生。E-mail:f.liu@siat.ac.cn。
薛冬峰,博士,享受国务院政府特殊津贴,《人工晶体学报》编委。现任深圳理工大学科研讲席教授、中国科学院深圳先进技术研究院多尺度晶体材料研究中心主任。2003年起历任大连理工大学化工学院材料化工系主任、中国科学院长春应用化学研究所稀土资源利用国家重点实验室主任和副所长、山东大学晶体材料国家重点实验主任和晶体所所长。国家万人计划科技创新领军人才、国家杰出青年科学基金获得者、中国科学院“百人计划”择优支持者、国家新材料产业发展专家咨询委员会委员、中国建筑材料联合会专家委员会新材料学部委员、英国皇家化学会会士、国际先进材料协会会士。
基金资助:
国家自然科学基金(51832007); 山东省自然科学基金重大基础研究项目(ZR2020ZD35)

Advance in Theory and Technology of Rapid Growth of Large-Size Crystals

LIU Feng¹, CHEN Kunfeng², PENG Chao¹, XUE Dongfeng¹

1. Multiscale Crystal Materials Research Center, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, China;
2. State Key Laboratory of Crystal Materials, Institute of Novel Semiconductors, Shandong University, Jinan 250100, China

Received:2022-08-03 Online:2022-10-15 Published:2022-11-02

摘要/Abstract

摘要： “如何突破大尺寸晶体材料的制备理论和技术”是中国科协发布的2021年度的十大前沿科学问题之一,揭示晶体生长机制和突破生长关键技术是大尺寸功能晶体发展的两个趋势。在原子分子尺度上,晶体生长可以是有势垒的热激活过程,也可以是无势垒的超快结晶过程,这与具体的体系以及晶面有关。从界面属性角度来看,光滑界面是以台阶拓展的方式生长;粗糙界面没有明显的固-液分层,通过局部原子固化进行生长。本文从晶体生长理论模型、生长技术及其应用实例,以及分子动力学方法在晶体生长中的应用等方面探讨了近些年大尺寸晶体快速生长理论和技术的研究进展。目前有多种方法制备大尺寸晶体,但普遍存在制备的晶体质量差和性能不稳定等问题。需要突破对晶体生长微观机制上的认识,建立机制与温度、流速等外界因素的内在联系。而利用机器学习力场以及分子动力学模拟方法,建立固-液界面,模拟晶体生长,将是探究晶体生长微观机制的一种有效方式。

关键词: 大尺寸晶体, 人工晶体, 晶体生长模型, 生长理论, 固-液界面

Abstract: “How to break through the preparation theory and technology of large-size crystal materials” is one of the top ten frontier scientific questions released by China Association forScience and Technology in 2021, which revealing the crystal growth mechanism and breaking through the key growth technologies are the two trends of the development of large-size functional crystals. At the atomic or molecular scale, the crysttal growth can be described as a themal activation process with a barrier or an ultrafast growth of crystal without barrier, whiech is related to the specific system and growth direction. Based on the properties of interface, the smooth interface grow by the wray of step expansion, and the rough interface has no obvious solid-liquid stratification, and the growth can be completed bylocal atomic solidification. The advances of growth theory and technology for the large-size crystals in recent years have been summarized from three aspects: model, technology of growth and its application, and the application of molecular dynamics inn crystal growth. At present, there are many methods to grow large-size crystals,but the crystal quality is poor and performance is unstable. The reasons are that the existing technology do not take the micro-mechanism of crystal growth into consideratioln, and the relationship among crystal growth mechanisms and external factors such as temperature and flow rate are not clear. Using machine learning force field and molecular dynamics simulation method to establish solid-liquid interface and to ssimulate crystal growth would be an effective way to explore the micro-mechanism of crystal growth.

Key words: large-size crystal, synthetic crystal, crystal growth model, growth theory, solid-liquid interface

中图分类号:

O781

刘锋, 陈昆峰, 彭超, 薛冬峰. 大尺寸晶体快速生长理论与技术的研究进展[J]. 人工晶体学报, 2022, 51(9-10): 1732-1744.

LIU Feng, CHEN Kunfeng, PENG Chao, XUE Dongfeng. Advance in Theory and Technology of Rapid Growth of Large-Size Crystals[J]. JOURNAL OF SYNTHETIC CRYSTALS, 2022, 51(9-10): 1732-1744.

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