scholarly journals Электронная структура соединения DyFe-=SUB=-2-=/SUB=-Si-=SUB=-2-=/SUB=-: зонный расчет и оптические исследования

2020 ◽  
Vol 62 (3) ◽  
pp. 364
Author(s):  
Ю.В. Князев ◽  
А.В. Лукоянов ◽  
Ю.И. Кузьмин

Investigations of electronic structure and optical properties of DyFe2Si2 compound have been carried out. Calculations of the band structure were made with employing local electron density approximation with correction for strong electron correlation effects in the 4f-shells of rare earth metal (GGA+U method). Optical properties were studied by ellipsometric technique in wide wavelength interval. A number of spectral and electronic characteristics were determined. It is shown that the optical conductivity of the compound in interband transitions range is interpreted satisfactorily by means of the density of states calculations.

2018 ◽  
Vol 60 (2) ◽  
pp. 222
Author(s):  
Ю.В. Князев ◽  
А.В. Лукоянов ◽  
Ю.И. Кузьмин ◽  
S. Gupta ◽  
K.G. Suresh

AbstractThe investigations of electronic structure and optical properties of GdRhSn and TbRhSn were carried out. The calculations of band spectrum, taking into account the spin polarization, were performed in a local electron density approximation with a correction for strong correlation effects in 4f shell of rare earth metal (LSDA + U method). The optical studies were done by ellipsometry in a wide range of wavelengths, and the set of spectral and electronic characteristics was determined. It was shown that optical absorption in a region of interband transitions has a satisfactory explanation within a scope of calculations of density of electronic states carried out.


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