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Dynamics of Quasi-One-Dimensional Structures under Roughening Transition Stimulated by External Irradiation.
Nanomaterials (Basel)
April 2022
Department of Mechanical, Electronic and Chemical Engineering, OsloMet, Pilestredet 35, St. Olavs Plass, 0130 Oslo, Norway.
We studied the striking effect of external irradiation of nanowires on the dynamics of their surface morphology at elevated temperatures that do not destroy their crystal lattice. Numerical experiments performed on the basis of the Monte Carlo model revealed new possibilities for controlled periodic modulation of the cross-section of quasi-one-dimensional nanostructures for opto- and nanoelectronic elements. These are related to the fact that external irradiation stimulates the surface diffusion of atoms.
View Article and Find Full Text PDFFirst-Principles Calculation of the Optical Rotatory Power of Periodic Systems: Application on α-Quartz, Tartaric Acid Crystal, and Chiral (n,m)-Carbon Nanotubes.
J Chem Theory Comput
July 2021
Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106, United States.
The self-consistent coupled-perturbed (SC-CP) method in the CRYSTAL program has been adapted to obtain electromagnetic optical rotation properties of chiral periodic systems based on the calculation of the magnetic moment induced by the electric field. Toward that end, an expression for the magnetic transition moment is developed, which involves an appropriate electronic angular momentum operator. This operator is forced to be hermitian so that the chiroptical properties are real.
View Article and Find Full Text PDFSpin correlations and spin-density wave phase in a finite-temperature quasi-one-dimensional electron gas.
J Phys Condens Matter
May 2021
Department of Physics, Kurukshetra University, Kurukshetra 136 119, India.
In this paper, we theoretically investigate the effect of temperature on spin correlations in an unpolarized quasi-one-dimensional electron gas (Q1DEG). The correlations are treated dynamically within quantum version of the self-consistent mean-field approach of SingwiNumerical results for the ↑↑ and ↑↓ components of static structure factor and pair-correlation function, and the wave vector dependent static spin and charge susceptibilities are presented over a wide range of temperatureand electron coupling. We find that the recently reported (2020335403) non-monotonic-dependence of the contact pair-correlation function(= 0;) is driven primarily by an interplay between ↑↓ correlations and thermal effects.
View Article and Find Full Text PDFDynamic correlation effects on correlational properties of finite-temperature quasi-one-dimensional electron gas.
J Phys Condens Matter
May 2020
Department of Physics, Kurukshetra University, Kurukshetra - 136 119, India.
We have studied correlational properties of quasi-one-dimensional electron gas at finite temperatureby incorporating the dynamics of electron correlations within the quantum version of the self-consistent mean-field approach of Singwi, Tosi, Land, and Sjölander. Static structure factor, pair-correlation function, static density susceptibility, excess kinetic energy, and free correlation energy are calculated covering a wide range of temperature and electron number density. As at absolute zero temperature, the inclusion of dynamics of correlations results in stronger spatial electron correlations, with a pronounced peak in the static structure factor at wave vector∼ 3.
View Article and Find Full Text PDFMultiparticle collision simulations of two-dimensional one-component plasmas: Anomalous transport and dimensional crossovers.
Phys Rev E
April 2017
CEA, IRFM, F-13108 Saint-Paul-lez-Durance, France.
By means of hybrid multiparticle collsion-particle-in-cell (MPC-PIC) simulations we study the dynamical scaling of energy and density correlations at equilibrium in moderately coupled two-dimensional (2D) and quasi-one-dimensional (1D) plasmas. We find that the predictions of nonlinear fluctuating hydrodynamics for the structure factors of density and energy fluctuations in 1D systems with three global conservation laws hold true also for 2D systems that are more extended along one of the two spatial dimensions. Moreover, from the analysis of the equilibrium energy correlators and density structure factors of both 1D and 2D neutral plasmas, we find that neglecting the contribution of the fluctuations of the vanishing self-consistent electrostatic fields overestimates the interval of frequencies over which the anomalous transport is observed.
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