Semiconductor nanostructure properties. Molecular Dynamic Simulations

15th Russian Youth Conference on Physics and Astronomy

物理学;天文学

Podolska, N.I.^1,2,3 ; Zhmakin, A.I.^1,2

SPb Branch of Joint Supercomputer Center of the Russian Academy of Sciences, Politekhnicheskaya str. 26, 194021 Saint-Petersburg, Russia^1

Ioffe Physical-Technical Institute of the Russian Academy of Sciences, Politekhnicheskaya str. 26, 194021 Saint-Petersburg, Russia^2

Saint-Petersburg Academic University of the Russian Academy of Sciences, Khlopina str. 8/3, 194021 Saint-Petersburg, Russia^3

关键词: Atomistic simulations;    Controlled properties;    Industrial problem;    Interaction energies;    Planar semiconductors;    Semiconductor nanostructures;    Simulation and optimization;    Strain distributions;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/461/1/012004/pdf
DOI  :  10.1088/1742-6596/461/1/012004

学科分类：天文学(综合)

来源: IOP

【 摘 要 】

The need for research is based on the fact that development of non-planar semiconductor nanosystems and nanomaterials with controlled properties is an important scientific and industrial problem. So, final scientific and technological problem is the creation of adequate modern methods and software for growth and properties simulation and optimization of various III-V (GaAs, InAs, InP, InGaAs etc.) nanostructures (e.g. nanowires) with controlled surface morphology, crystal structure, optical, transport properties etc. Accordingly, now we are developing a specialized computer code for atomistic simulation of structural (distribution of atoms and impurities, elastic and force constants, strain distribution etc.) and thermodynamic (mixing energy, interaction energy, surface energy etc.) properties of the nanostructures. Some simulation results are shown too.