Inclusion of the exchange-correlation effects in Ab initio methods for calculating the plasmon dispersion and line width in metals |
| |
Authors: | I A Nechaev V M Silkin E V Chulkov |
| |
Institution: | (1) Kostroma State University, ul. Pervogo Maya 14, Kostroma, 156961, Russia;(2) Donostia International Physics Center (DIPC), San Sebastián, Basque Country, 20018, Spain;(3) Institute of Strength Physics and Materials Science, Siberian Division, Russian Academy of Sciences, Akademicheskiĭ pr. 2/1, Tomsk, 634021, Russia;(4) Departamento de Física de Materiales, Facultad de Ciencias Químicas, UPV/EHU and Centro Mixto CSIC-UPV/EHU, Apdo. 1072, San Sebastián, Basque Country, 20080, Spain |
| |
Abstract: | A self-consistent analog of the Hubbard local-field factor accounting for a real band structure of the metal under investigation is proposed for the calculation of the exchange-correlation corrections to the randomphase approximation. The plasmon energy and the plasmon line width for potassium are calculated as a function of the wave vector. The calculations are performed within the random-phase approximation and with corrections for the local field. It is shown that the results of the calculations are in good agreement with the experimental data. This indicates that, first, the corrections to the random-phase approximation should be taken into account for metals with a low electron density and, second, the local-field factor approximation is an appropriate approach. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|