Physico-Chemical model and computer simulations of silicon nanowire growth

• Опубліковано в: : Semiconductor Physics Quantum Electronics & Optoelectronics
• Дата: 2005
• Автори: Efremov, A., Klimovskaya, A., Kamins, T., Shanina, B., Grygoryev, K ., Lukyanets, S .
• Формат: Стаття
• Мова: English
• Опубліковано: Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України 2005
• Онлайн доступ: https://nasplib.isofts.kiev.ua/handle/123456789/120978
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Цитувати: Physico-Chemical model and computer simulations of silicon nanowire growth / A. Efremov, A. Klimovskaya, T. Kamins, B. Shanina, K. Grygoryev, S. Lukyanets // Semiconductor Physics Quantum Electronics & Optoelectronics. — 2005. — Т. 8, № 3. — С. 1-11. — Бібліогр.: 37 назв. — англ.

A model of catalytically enhanced CVD growth of a silicon nanowire assembly on a substrate is developed, and growth process is simulated. Thermodynamic-kinetic theory is used for modeling of molecular transport in the gas phase, processes near catalyst surface and nanowire side of variable curvature, bulk diffusion of silicon adatoms through catalyst – body, and 2D nucleation. The simulation of atomic transport across surfaces is based on a long-wave approach of lattice gas approximation. To determine a character of atomic transport in TiSi₂-catalyst that is of great importance for application in Si-based technology, a density functional theory is used. The main result of modeling is that it is found a relationship between growth conditions (an initial radius of catalyst particles, their density, substrate temperature, content, pressure of gas, as well as properties of materials used) and, on the other hand, a growth rate, shape, composition, and type of atomic structure (amorphous or crystalline) of the nanowires grown. Besides, available experimental data published previously are discussed, and a qualitative agreement between theory and various experiments is obtained. This agreement gives rise to use the found relationship for controlling the nanowire growth.