Open AccessАдсорбция атомов Ga и Cl и молекулы GaCl на карбиде кремния: модельный подход
Author(s) -
С.Ю. Давыдов,
О.В. Посредник
Publication year - 2020
Publication title -
fizika tverdogo tela
Language(s) - English
Resource type - Journals
eISSN - 1726-7498
pISSN - 0367-3294
DOI - 10.21883/ftt.2020.02.48882.596
Subject(s) - adsorption , ionic bonding , metal , substrate (aquarium) , simple (philosophy) , materials science , energy (signal processing) , value (mathematics) , thermodynamics , computational chemistry , chemistry , ion , mathematics , physics , metallurgy , statistics , organic chemistry , philosophy , oceanography , epistemology , geology
Within the scope of the Haldane – Anderson model metallic and ionic contri-butions to the adsorption energy are calculated for the Ga and Cl atoms ad-sorbed on the C- and Si-faces of p- and n-SiC substrates. It is shown firstly that for all considered cases we obtain that ionic contribution is greater than metallic contribution. Secondly, in the case of adsorption on the p-SiC sub-strate value of the model of adsorption energy for Ga is greater than for Cl while in the case of adsorption on the n-SiC opposite inequality is realized. For the description of the GaCl adsorption on SiC substrate simple ionic model is put forward. Comparison with the results of other authors demonstrates valid-ity of the proposed models.