20 citations · 29 across the 5 of their papers we have counts for
5 papers
Different strategies for GaN-MoS2 and GaN-WS2 core-shell nanowire growth
Edgars Butanovs, Kevon Kadiwala, Aleksejs Gopejenko +3
One-dimensional (1D) nanostructures - nanowires (NWs) - exhibit promising properties for integration in different types of functional devices. Their properties can be enhanced even…
Electronic structure of cubic ScF from first-principles calculations
P. Zhgun, D. Bocharov, S. Piskunov +2
The first-principles calculations have been performed to investigate the ground state properties of cubic scandium trifluoride (ScF) perovskite. Using modified hybrid exchange-…
Electronic charge redistribution in LaAlO(001) thin films deposited at SrTiO(001) substrate: First principles analysis and the role of stoichiometry
Alexandre Sorokine, Dmitry Bocharov, Sergei Piskunov +1
We present a comprehensive first-principles study of the electronic charge redistribution in atomically sharp LaAlO/SrTiO(001) heterointerfaces of both n- and p-types allow…
First-principles modeling of oxygen interaction with SrTiO3(001) surface: Comparative density-functional LCAO and plane-wave study
Vitaly Alexandrov, Sergei Piskunov, Yuri F. Zhukovskii +2
Large scale first-principles calculations based on density functional theory (DFT) employing two different methods (atomic orbitals and plane wave basis sets) were used to study th…
Ab initio calculations of the atomic and electronic structures for ABO3 perovskite (001) surfaces
S. Piskunov, E. A. Kotomin, E. Heifets
We present the results of first-principles calculations on two possible terminations of the (001) surfaces of SrTiO3 (STO), BaTiO3 (BTO), and PbTiO3 (PTO) perovskite crystals. Atom…