Premium
Application of the Density‐Functional Formalism to Bound Polarons
Author(s) -
Röseler J.
Publication year - 1985
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221300131
Subject(s) - polaron , formalism (music) , hybrid functional , homogeneous , density functional theory , physics , ground state , phonon , kinetic energy , electron , quantum mechanics , condensed matter physics , statistical physics , art , musical , visual arts
Calculating the ground state energy of the bound polaron with the help of the density‐functional formalism high quality results are found for all α and R . Beside the usual energy functional of the electronic density a new energy functional without self‐energy contributions can be constructed, allowing to prove quantitatively the applicability of the local density approximation if electron–phonon interaction is included. Furthermore, the validity of the parametrized formula for the exchange‐correlation energy of a homogeneous e–h plasma in polar semiconductors is confirmed by the calculations. Comparing both energy functionals new insights are obtained with respect to the structure of these functionals.