6. Solid-State and Semiconductor Physics, Physics of Nanostructures

Method of Simulation of Diffraction Pattern for Nanosize Crystalline Systems

Dmitriy A. Yatsenko
1. Novosibirsk State University Novosibirsk, Russian Federation
2. Boreskov Institute of Catalysis SB RAS Novosibirsk, Russian Federation
yatsenko@catalysis.ru
Sergey V. Tsybulya
1. Novosibirsk State University Novosibirsk, Russian Federation
2. Boreskov Institute of Catalysis SB RAS Novosibirsk, Russian Federation
tsybulya@catalysis.ru
The material was received by the Editorial Board: 30.07.2008
The original algorithm and the software for calculation of x-ray powder diffraction patterns from ensemble of nanocrystal particles are developed. Test calculations are carried out. Errors in definition of positions, integrated intensities and halfwidth of diffraction peaks are estimated.

Keywords:
x-ray powder diffraction, nanocrystals, structural analysis.
УДК 539.26; 548.73

Method of Simulation of Diffraction Pattern for Nanosize Crystalline Systems
References: Yatsenko D.A., Tsybulya S.V. Method of Simulation of Diffraction Pattern for Nanosize Crystalline Systems. Vestnik NSU. Series: Physics. 2008, vol. 3, no. 4. P. 47–51 (in Russ.). DOI: 10.54362/1818-7919-2008-3-4-47-51