Wannier functions and chemical bonding in Be-IV-P2 (Iv = C, Si, Ge, Sn) compounds with chalcopyrite structure

Modern surface analysis is based largely upon the use of ionizing radiation to probe the electronic and atomic structure of the surfaces physical and chemical makeup. In many of these studies the ionizing radiation used as the primary probe is found to induce changes in the structure and makeup of the surface, especially when electrons are employed. A number of techniques employ the phenomenon of radiation induced desorption as a means of probing the nature of the surface bond. These include Electron- and Photon-Stimulated Desorption (ESD and PSD) which measure desorbed ionic and neutral species as they leave the surface after the surface has been excited by some incident ionizing particle. There has recently been a great deal of activity in determining the relationship between the nature of chemical bonding and its susceptibility to radiation damage.

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ON THE CHEMICAL BONDING FEATURES IN PALLADIUM CONTAINING COMPOUNDS: A COMBINED QTAIM/DFT TOPOLOGICAL ANALYSIS

Журнал структурной химии ◽

10.15372/jsc20170307 ◽

2017 ◽

Keyword(s):

Chemical Bonding ◽

Topological Analysis

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2D metal slabs in new nickel–tin chalcogenides Ni7−δSnQ2 (QSe, Te): average crystal and electronic structures, chemical bonding and physical properties

Journal of Solid State Chemistry ◽

10.1016/j.jssc.2004.05.061 ◽

2004 ◽

Vol 177 (10) ◽

pp. 3616-3625 ◽

Cited By ~ 12

Author(s):

A.I. Baranov ◽

A.A. Isaeva ◽

L. Kloo ◽

V.A. Kulbachinskii ◽

R.A. Lunin ◽

...

Keyword(s):

Physical Properties ◽

Chemical Bonding ◽

Electronic Structures ◽

Tin Chalcogenides

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Discrete Nonlinear Schrödinger Systems for Periodic Media with Nonlocal Nonlinearity: The Case of Nematic Liquid Crystals

Applied Sciences ◽

10.3390/app11104420 ◽

2021 ◽

Vol 11 (10) ◽

pp. 4420

Author(s):

Panayotis Panayotaros

Keyword(s):

Differential Equation ◽

Infinite System ◽

Linear Part ◽

Optical Power ◽

Explicit Construction ◽

Translation Invariance ◽

Nonlocal Nonlinearity ◽

Wannier Functions ◽

Nonlinear Schrödinger ◽

Nonlinear Schrödinger Systems

We study properties of an infinite system of discrete nonlinear Schrödinger equations that is equivalent to a coupled Schrödinger-elliptic differential equation with periodic coefficients. The differential equation was derived as a model for laser beam propagation in optical waveguide arrays in a nematic liquid crystal substrate and can be relevant to related systems with nonlocal nonlinearities. The infinite system is obtained by expanding the relevant physical quantities in a Wannier function basis associated to a periodic Schrödinger operator appearing in the problem. We show that the model can describe stable beams, and we estimate the optical power at different length scales. The main result of the paper is the Hamiltonian structure of the infinite system, assuming that the Wannier functions are real. We also give an explicit construction of real Wannier functions, and examine translation invariance properties of the linear part of the system in the Wannier basis.

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