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Symmetry
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Applied Surface Science
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Applied Surface Science

A special issue of Symmetry (ISSN 2073-8994). This special issue belongs to the section "Physics".

Deadline for manuscript submissions: closed (30 April 2022) | Viewed by 5851

Special Issue Editors

Dr. Marian Zamfirescu

E-Mail Website
Guest Editor
National Institute for Laser, Plasma and Radiation Physics, Bucharest, Romania
Interests: physics
Dr. Ekaterina Iordanova

E-Mail Website
Guest Editor
Institute of Solid State Physics, Bulgarian Academy of Sciences, Sofia, Bulgaria
Interests: non-linear dynamics; nano structuring; ultrafast lasers; materials science; nanomaterials; condensed matter physics

Special Issue Information

Dearest Reader,

Symmetry plays a pivotal role in nature and in society. It has challenged and fascinated humanity since ancient times, and despite the impressive amount of information on symmetry that has become available through the years, research on it has continued to the present day. Today, we realize that symmetry is the most dominant concept in the study and formulation of basic laws of science, technology, art, and ideas of divinity and perfection. Symmetry is a directional and key factor in the search for further evolution, and for development and progress. The continuous progress in the development of advanced technologies, which are becoming smaller and smaller in dimensions, higher and higher in energy, and shorter and shorter in time, allows us to discover more and more symmetry, and more and more phenomena.

I would like to summarize my thoughts around symmetry with one quote from the great mathematician Herman Weyl:

“Symmetry establishes a ridiculous and wonderful cousinship between objects, phenomena, and theories outwardly unrelated: terrestrial magnetism, woman's veils, polarized light, natural selection, the theory of groups, the structure of space, vase designs, quantum physics, scarabs, flower petals, X-ray interference patterns, cell division in sea urchins, equilibrium positions of crystals, Romanesque cathedrals, snowflakes, music, the theory of relativity.”

Why is nature so symmetric?

Submit your paper and select the Journal “Symmetry” and the Special Issue “Applied Surface Science” via: MDPI submission system. Please contact the journal editor Ida Li. Our papers will be published on a rolling basis and we will be pleased to receive your submission once you have finished it.

Dr. Marian Zamfirescu
Dr. Ekaterina Iordanova
Guest Editors

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

  • nonlinear dynamics in transparent materials
  • nanostructuring by ultrafast lasers
  • filament phenomena

Published Papers (2 papers)

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Research

16 pages, 1966 KiB  
Article
Ab Initio Computations of O and AO as well as ReO2, WO2 and BO2-Terminated ReO3, WO3, BaTiO3, SrTiO3 and BaZrO3 (001) Surfaces
by Roberts I. Eglitis, Juris Purans, Anatoli I. Popov, Dmitry Bocharov, Anastasiia Chekhovska and Ran Jia
Symmetry 2022, 14(5), 1050; https://0-doi-org.brum.beds.ac.uk/10.3390/sym14051050 - 20 May 2022
Cited by 25 | Viewed by 1994
Abstract
We present and discuss the results of surface relaxation and rumpling computations for ReO3, WO3, SrTiO3, BaTiO3 and BaZrO3 (001) surfaces employing a hybrid B3LYP or B3PW description of exchange and correlation. In particular, we [...] Read more.
We present and discuss the results of surface relaxation and rumpling computations for ReO3, WO3, SrTiO3, BaTiO3 and BaZrO3 (001) surfaces employing a hybrid B3LYP or B3PW description of exchange and correlation. In particular, we perform the first B3LYP computations for O-terminated ReO3 and WO3 (001) surfaces. In most cases, according to our B3LYP or B3PW computations for both surface terminations BO2- and O, AO-terminated ReO3, WO3, BaTiO3, SrTiO3 and BaZrO3 (001) surface upper layer atoms shift downwards, towards the bulk, the second layer atoms shift upwards and the third layer atoms, again, shift downwards. Our ab initio computes that ReO3, WO3, BaTiO3, SrTiO3 and BaZrO3 (001) surface Γ-Γ bandgaps are always smaller than their respective bulk Γ-Γ bandgaps. Our first principles compute that B-O atom chemical bond populations in the BaTiO3, SrTiO3 and BaZrO3 perovskite bulk are always smaller than near their BO2-terminated (001) surfaces. Just opposite, the Re-O and W-O chemical bond populations in the ReO3 (0.212e) and WO3 (0.142e) bulk are slightly larger than near the ReO2 and WO2-terminated ReO3 as well as WO3 (001) surfaces (0.170e and 0.108e, respectively). Full article
(This article belongs to the Special Issue Applied Surface Science)
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13 pages, 16917 KiB  
Article
Tendencies in ABO3 Perovskite and SrF2, BaF2 and CaF2 Bulk and Surface F-Center Ab Initio Computations at High Symmetry Cubic Structure
by Roberts I. Eglitis, Juris Purans, Anatoli I. Popov and Ran Jia
Symmetry 2021, 13(10), 1920; https://0-doi-org.brum.beds.ac.uk/10.3390/sym13101920 - 12 Oct 2021
Cited by 30 | Viewed by 3022
Abstract
We computed the atomic shift sizes of the closest adjacent atoms adjoining the (001) surface F-center at ABO3 perovskites. They are significantly larger than the atomic shift sizes of the closest adjacent atoms adjoining the bulk F-center. In the ABO [...] Read more.
We computed the atomic shift sizes of the closest adjacent atoms adjoining the (001) surface F-center at ABO3 perovskites. They are significantly larger than the atomic shift sizes of the closest adjacent atoms adjoining the bulk F-center. In the ABO3 perovskite matrixes, the electron charge is significantly stronger confined in the interior of the bulk oxygen vacancy than in the interior of the (001) surface oxygen vacancy. The formation energy of the oxygen vacancy on the (001) surface is smaller than in the bulk. This microscopic energy distinction stimulates the oxygen vacancy segregation from the perovskite bulk to their (001) surfaces. The (001) surface F-center created defect level is nearer to the (001) surface conduction band (CB) bottom as the bulk F-center created defect level. On the contrary, the SrF2, BaF2 and CaF2 bulk and surface F-center charge is almost perfectly confined to the interior of the fluorine vacancy. The shift sizes of atoms adjoining the bulk and surface F-centers in SrF2, CaF2 and BaF2 matrixes are microscopic as compared to the case of ABO3 perovskites. Full article
(This article belongs to the Special Issue Applied Surface Science)
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