Ab initio modeling of segregation of iron atoms on the (111) nickel surface
Бесплатный доступ
The paper is devoted to computer modeling of surface alloys Ni-based ab initio methods. Obtained surface model alloys Ni (111), calculated their physical properties: relaxation, surface energy, work function. Effect of location of the Fe atoms on these characteristics is studied.
Ab initio methods, surface, nickel, iron, segregation, relaxation, computer modeling
Короткий адрес: https://sciup.org/147158855
IDR: 147158855
Статья научная
