Adsorption and diffusion of atoms 1, 2 and 13 groups on the surface of antimony telluride | Izvestiya vuzov. Fizika. 2019. № 3. DOI: 10.17223/00213411/62/3/110

HomeIssuesAdsorption and diffusion of atoms 1, 2 and 13 groups on the surface of antimony telluride | Izvestiya vuzov. Fizika. 2019. № 3. DOI: 10.17223/00213411/62/3/110

Adsorption and diffusion of atoms 1, 2 and 13 groups on the surface of antimony telluride

In this work we represent results of first-principles calculations for adsorption and diffusion of adatoms 1, 2 and 13 groups on topological insulator Sb2Te3 surface (0001). It is shown that most of investigated atoms has a minimum of energy in FCC hollow sites. The exception is beryllium, boron, indium and thallium, for them HCP hollow sites are preferable. Diffusion of adatoms on surface (0001) Sb2Te3 proceeds as two-stage mechanism, that includes hop from FCC to HCP hollow sites then from HCP to FCC hollow sites. For beryllium, boron, indium and thallium atoms the order of the hops is shifted because for these atoms FCC hollow sites are preferable energetically. The energy barriers of hop on the surface and attempt frequencies are found based on which diffusion lengths are calculated analytically. The temperatures of the diffusion activation, at which atom covers one interatomic distance (2.5 Å) per minute, are determined. It is revealed that the highest activation temperature (165 K) corresponds to beryllium, and the lowest (39 K) - cesium.

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Keywords

charge transfer, diffusion, adsorption, density functional method, topological isolator, перенос заряда, диффузия, адсорбция, метод функционала электронной плотности, топологический изолятор

Authors

NameOrganizationE-mail
Ryabishchenkova A.G.National Research Tomsk State Universityryaange@gmail.com
Kuznetsov V.M.National Research Tomsk State Universitykuznetsov@rec.tsu.ru
Всего: 2

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Adsorption and diffusion of atoms 1, 2 and 13 groups on the surface of antimony telluride | Izvestiya vuzov. Fizika. 2019. № 3. DOI: 10.17223/00213411/62/3/110

Adsorption and diffusion of atoms 1, 2 and 13 groups on the surface of antimony telluride | Izvestiya vuzov. Fizika. 2019. № 3. DOI: 10.17223/00213411/62/3/110