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Nanomaterials (Basel). 2015 Apr 2;5(2):541-553. doi: 10.3390/nano5020541.

Band Structure Simulations of the Photoinduced Changes in the MgB₂:Cr Films.

Author information

1
Faculty of Electrical Engineering, Czestochowa University of Technology, Armii Krajowej Street 17, 42-200 Czestochowa, Poland. iwank74@gmail.com.
2
Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, Pekarska Street 50, 79010 Lviv, Ukraine. ft@ua.fm.
3
Faculty of Electrical Engineering, Czestochowa University of Technology, Armii Krajowej Street 17, 42-200 Czestochowa, Poland. cate.ozga@wp.pl.
4
Physics and Astronomy Department, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia. nalzayed@ksu.edu.sa.

Abstract

An approach for description of the photoinduced nonlinear optical effects in the superconducting MgB₂:Cr₂O₃ nanocrystalline film is proposed. It includes the molecular dynamics step-by-step optimization of the two separate crystalline phases. The principal role for the photoinduced nonlinear optical properties plays nanointerface between the two phases. The first modified layers possess a form of slightly modified perfect crystalline structure. The next layer is added to the perfect crystalline structure and the iteration procedure is repeated for the next layer. The total energy here is considered as a varied parameter. To avoid potential jumps on the borders we have carried out additional derivative procedure.

KEYWORDS:

MgB2; nanocrystalline superconducting films; photoinduced treatment

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