Group of theoretical studies of nanostructures

Head of Laboratory

Klavsyuk, Andrey L

DSc in Physics and Mathematics, Professor
Publications
62
Citations
748
h-index
18
Publications
62
Citations
735
h-index
17
Authorization required.

We are engaged in modeling nanostructures within the framework of the theory of the electron density functional and Monte Carlo methods

  1. DFT calculations
  2. Computer modeling of physical properties of materials at the atomic and molecular level using molecular dynamics and Monte Carlo methods

Research directions

Length distributions of one-dimensional nanostructures on stepped surfaces

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Currently, an urgent problem is the creation of new materials and the study of their properties. Low-dimensional nanostructures have a number of unusual physical properties that favorably distinguish them from thin films and massive structures. It is believed that on their basis it will be possible to create fundamentally new devices in electronics. However, for this it is necessary to know the conditions under which such structures are formed and also maintain stability. They can be created using two different approaches: top-down and bottom-up. In the first one, it is possible to assemble nanoobjects by atoms using, for example, a needle of a scanning tunneling microscope. Although this method is accurate and allows for good reproducibility, it is also very slow, which makes it impossible to create nanostructures en masse. The second approach is the self-organization of nanostructures on the surface, when the interaction of adsorbed atoms with the substrate plays the main role in the formation. It is the construction of theoretical models of the growth of surface structures and subsequent calculations of their characteristics that can indicate the conditions for the formation of new materials at the atomic level, as well as help assess the prospects for their practical application.

Partners

Lab address

119991, ГСП-1, Москва, Ленинские горы, дом 1, строение 2
Authorization required.