Influence of copper impurities on the evolution of the electronic structure and optical spectra of the LuNi5 compound

Abstract

The optical properties of LuNi 5 -x Cu x intermetallic compounds (x = 0, 1, 2) have been investi gated using ellipsometry in the wavelength range of 0.22-15 μm. It has been established that the partial sub stitution of nickel by copper leads to substantial variations in the spectral characteristics, as well as in the plasma and relaxation frequencies of conduction electrons. Self consistent calculations of the electronic structure of these compounds have been performed in the approximation of the local electron spin density. The experimental frequency dependences of the optical conductivity in the interband optical absorption region have been interpreted based on the calculated densities of electron states.

Влияние примеси меди на электронную структуру и оптические свойства соединений TmNi-=SUB=-5-=/SUB=-

“…В расчетах были использованы PAWпотенциалы Tm.GGA-PBE-paw-vl.0.UPF [19], Ni.pbe-n-kjpaw_psl.0. для других интерметаллидов подобного типа, где никель замещается атомами меди [22,23]. Зеркальные поверхности образцов 14-го класса чистоты приготовлены механическим полированием на алмазных пастах.…”