Open AccessWork function of chemical compounds of aluminum-magnesium system
Author(s) -
Р. Х. Хисамов,
Andrey A. Kistanov,
К. С. Назаров,
R. U. Shayakhmetov,
Г. Ф. Корзникова,
Yu. M. Yumaguzin,
Sergey V. Dmitriev,
R. R. Mulyukov
Publication year - 2020
Publication title -
iop conference series. materials science and engineering
Language(s) - English
Resource type - Journals
eISSN - 1757-899X
pISSN - 1757-8981
DOI - 10.1088/1757-899x/1008/1/012032
Subject(s) - magnesium , aluminium , work (physics) , work function , function (biology) , density functional theory , materials science , crystallography , metallurgy , chemistry , inorganic chemistry , computational chemistry , thermodynamics , metal , physics , evolutionary biology , biology
For pure metals aluminum and magnesium and for chemical compounds Al 3 Mg, Al 2 Mg, AlMg and AlMg 3 with crystallographic orientations (100), (110) and (111) the work function is calculated from the first principles in the framework of the density functional theory. It is shown that the dependence of the work function on the magnesium concentration in aluminium is nonlinear. The reasons for the work function differences of chemical compounds depending on the crystallographic orientation are analysed.