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

Nanomaterials

Anatolii O. Fedorchuk¹  Iwan V. Kityk²  Katarzyna Ozga²  Nasser S. AlZayed³ 

[1] Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, Pekarska Street 50, 79010 Lviv, Ukraine;Faculty of Electrical Engineering, Czestochowa University of Technology,Armii Krajowej Street 17, 42-200 Czestochowa, Poland;Physics and Astronomy Department, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia;

关键词: nanocrystalline superconducting films;    photoinduced treatment;    MgB2;   

DOI  :  10.3390/nano5020541

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown