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Calculation of Local Densities of States, Local Charges, and Adsorption Energy on Large Semiconductor Substrate with Single Adsorbate
Author(s) -
Engler C.,
Lorenz W.
Publication year - 1982
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.2221130123
Subject(s) - semiconductor , substrate (aquarium) , adsorption , local density of states , materials science , condensed matter physics , diagonal , energy (signal processing) , matrix (chemical analysis) , atomic physics , chemistry , physics , optoelectronics , quantum mechanics , mathematics , geometry , oceanography , composite material , geology
Abstract Quantumchemical calculations of local densities of states, local charges, and adsorption energy on large semiconductor substrate with a single adsorbate are reported for GaP with ideal or 1 × 1 reconstructed (110) surface. The dependences of the named quantities on atomar adsorbate diagonal and hopping matrix elements are discussed.