X-ray Photoelectron Spectra and Electronic Structure of New Functional Materials 2018
A special issue of Symmetry (ISSN 2073-8994). This special issue belongs to the section "Physics".
Deadline for manuscript submissions: closed (31 July 2019) | Viewed by 6114
Special Issue Editor
Interests: films; oxidation state; transition metal; doping, surface; defects; X-ray spectroscopy; DFT
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
For the creation of new promising functional materials with special electrical, optical, and magnetic properties, information about the atomic and electronic structure of these materials is required. In connection with the development of new experimental and computational methods in condensed matter physics as well as computer technology, new possibilities arise for determining the energy structure of various compounds, including those that are quite complex in composition and crystal structure. Thus, numerical modelling of the electronic structure is becoming increasingly important for revealing the mechanisms of the appearance of special physical properties and their changes under the influence of temperature, pressure, and electric and magnetic fields. However, the achievement of such calculations is primarily due to the introduction of significant simplifications into the original Schrödinger equation written for the molecule in question, which allows one to obtain an approximate solution to a greater or lesser extent.
Thereby, the question arises as to whether the researcher has experimental methods that allow direct comparison of the obtained data with the results of theoretical calculations. What requirements must these methods satisfy in the first place? First of all, they must be directly related to the quantities obtained as a result of theoretical calculations. Such quantities are the possible energy levels of the system and the corresponding wave functions. Knowing them, we can calculate other parameters of the electronic system that are of interest to us.
Investigation of substances of complex composition by X-ray spectroscopy provides the greatest efficiency, since it allows information about the energy of chemical bonds and the structure of the valence band to be obtained directly.
Thus, the scope of this Special Issue “X-ray Spectra and Electronic Structure of New Functional Materials” encompasses original works on experimental and theoretical investigations of electronic structure.
Prof. Ivan S. Zhidkov
Guest Editor
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Symmetry is an international peer-reviewed open access monthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
Keywords
- Electronic structure
- X-ray photoelectron spectroscopy
- X-ray absorption spectroscopy
- RISX
- Density functional theory (DFT) calculations
- Surface characterization
- Electronic properties
- Computer simulations
- X-ray spectroscopy
