Zobrazeno 1 - 10
of 56
pro vyhledávání: '"Lebedev, Alexander I."'
Autor:
Lebedev, Alexander I.
Publikováno v:
J. Phys. Chem. C 127, 9911 (2023)
Spontaneous strain and spontaneous folding of thin nanoplatelets are known phenomena whose microscopic mechanisms are still debating. In this work, first-principles calculations are used to study the mechanical stresses that arise in Janus CdSe nanop
Externí odkaz:
http://arxiv.org/abs/2405.11679
Autor:
Lebedev, Alexander I., Saidzhonov, Bedil M., Drozdov, Konstantin A., Khomich, Andrey A., Vasiliev, Roman B.
Publikováno v:
J. Phys. Chem. C 125, 6758 (2021)
The vibrational spectroscopy of semiconductor nanostructures can provide important information on their structure. In this work, experimental Raman and infrared spectra are compared with vibrational spectra of CdSe/CdS core/shell nanoplatelets calcul
Externí odkaz:
http://arxiv.org/abs/2112.06326
Autor:
Lebedev, Alexander I.
Publikováno v:
Ferroelectrics 567, 89 (2020)
The stability of high-symmetry $P4mm$ polar phase in eleven ferroelectric perovskite superlattices with the polar discontinuity is studied from first principles. In most superlattices, this phase exhibits either the ferroelectric or the antiferrodist
Externí odkaz:
http://arxiv.org/abs/2109.00785
Autor:
Lebedev, Alexander I.
Publikováno v:
Computational Materials Science, v. 188, p. 110113 (2021)
The stability of a high-symmetry $P4mm$ polar phase in seventeen short-period ferroelectric perovskite superlattices with polar discontinuity is studied from first principles within the density-functional theory. It is shown that in most superlattice
Externí odkaz:
http://arxiv.org/abs/2012.08817
Autor:
Lebedev, Alexander I.
Publikováno v:
Physical Review B, v. 100, No. 3, p. 035432 (2019)
The in-plane coefficient of thermal expansion (CTE) for CdSe nanoplatelets with the zinc-blende structure containing from two to five monolayers is calculated from first principles within the quasiharmonic approximation. A comparison of the obtained
Externí odkaz:
http://arxiv.org/abs/1908.04581
Autor:
Lebedev, Alexander I.
Publikováno v:
Journal of Applied Physics, v. 124, p. 164302 (2018)
The ground-state structure of monolayers and nanoplatelets of SnS with a thickness from two to five monolayers is calculated from first principles. It is shown that nanoobjects with only odd number of monolayers are ferroelectric. The ferroelectric,
Externí odkaz:
http://arxiv.org/abs/1805.08437
Autor:
Lebedev, Alexander I.
Publikováno v:
Phys. Rev. B 96, 184306 (2017)
Phonon spectra of CdSe nanoplatelets (2-6 ML) with the zinc-blende structure were calculated from first principles within the density-functional theory. It turned out that the Lamb modes in nanoplatelets are in fact optical rather than acoustic vibra
Externí odkaz:
http://arxiv.org/abs/1707.05444
Autor:
Vasiliev, Roman B., Lebedev, Alexander I., Lazareva, Elizabeth P., Shlenskaya, Natalia N., Zaytsev, Vladimir B., Vitukhnovsky, Alexei G., Yao, Yuanzhao, Sakoda, Kazuaki
Publikováno v:
Phys. Rev. B 95, 165414 (2017)
Semiconductor nanoparticles of cadmium chalcogenides are known to exhibit pronounced thickness-dependent $E_0$ series of exciton transitions at the $\Gamma$ point of the Brillouin zone (BZ). In this work, we report an experimental evidence for high-e
Externí odkaz:
http://arxiv.org/abs/1703.08960
Autor:
Lebedev, Alexander I.
Publikováno v:
J. Adv. Dielectrics 6, 1650016 (2016)
The sequence of ground states for SrTiO3 film subjected to epitaxial strain as well as to mechanical stress along the [001] and [110] axes is calculated from first principles within the density functional theory. Under the fixed-strain boundary condi
Externí odkaz:
http://arxiv.org/abs/1509.00902