arXiv subjects

V. F. Elesin

Publications and source records attributed to V. F. Elesin.

6 recordsLinked to original sources

arXiv2004

On the momentum-space approach to calculation of one-electron energy spectra and wave functions of atomic clusters

Momentum-space approach to calculation of one-electron energies and wave functions proposed initially by Fock for a hydrogen atom and considered later by Shibuya, Wulfman, and Koga for diatomic molecules is applied to clusters composed of three and more atoms. The corresponding basis set in the coordinate space is of the Sturmian type since all the hydrogenlike orbitals in this set have a common exponent, i.e., correspond to the same energy (as opposed to one-electron atomic orbitals). By the examples of He$_4^{+7}$ and He$_6^{+11}$ cluster ions it is shown that increase in the number of orbitals in the set results in rapid convergence of eigenenergies and eigenfunctions of highly excited states. The momentum-space approach to the one-electron many-center problem may be used for various solid-state and quantum-chemical applications.

quant-ph↗

arXiv2002

The interplay of superconductivity and localization in Nd{2-x}Ce{x}CuO{4+δ} single crystal films

The influence of nonstoichiometric disorder on the in-plane resistivity and SC-transition has been investigated for Nd{2-x}Ce{x}CuO{4+δ} single crystal films (x=0.15 and 0.18). It is shown that with increasing of $δ$ the in-plane normal state resistivity increases (the mean free path diminishes) and SC-transition temperature decreases with essential broadening of the transition region. The observed evolution from homogeneous metallic (and superconducting) Nd{2-x}Ce{x}CuO{4+δ} system to inhomogeneous dielectric one is described as Anderson-type disorder-induced transition in a two-dimensional electron system.

cond-mat.supr-con↗

arXiv2002

Metastable quasi-one-dimensional ensembles of nitrogen clusters N_8

By means of ab initio and tight-binding calculations it is shown that metastable nitrogen clusters N_8 (boats) can form quasi-one-dimensional ensembles in which the nearest clusters N_8 are bound to each other by covalent bonds. Those ensembles are characterized by rather high energy barriers (~ 0.3 eV) that prevent the fission of the ensembles into isolated N_8 clusters and/or N_2 molecules.

cond-mat.mes-hall↗

arXiv2001

Metastability of the Three-Dimensional Carbon Cluster Prismane C$_8$

Stability of recently predicted cage-like carbon cluster C$_8$ (prismane) against its transformations to structures lying at lower energies is studied theoretically. The smallest energy barrier inhibiting prismane transformation is shown to be 0.44 eV, in qualitative agreement with the value of activation energy for prismane decay calculated by molecular dynamics simulations. A rather high value of the barrier suggests the possibility of experimental observation of this cluster at ambient pressure.

physics.atm-clus↗

arXiv1999

Clusters of interstitial carbon atoms near the graphite surface as a possible origin of dome-like features observed by STM

Formation of clusters of interstitial carbon atoms between the surface and second atomic layers of graphite is demonstrated by means of molecular dynamics simulations. It is shown that interstitial clusters result in the dome-like surface features that may be associated with some of the hillocks observed by STM on the irradiated graphite surface.

cond-mat.mtrl-sci↗

arXiv1998

Formation of Clusters of Interstitial Carbon Atoms in Graphite due to Deformation Interaction and their Spatial Arrangement

Formation of clusters of interlayer interstitial carbon atoms in graphite is studied by means of molecular dynamics simulation. It is shown that the deformation potential is attractive for interstitials located in one interlayer region and repulsive for interstitials located in different interlayer regions. As a result, relatively small interstitial clusters are formed which are arranged in a checkerboard-like order.

cond-mat.mtrl-sci↗