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Special Issue Information

Dear Colleagues,

Materials where charge, spin, orbital and lattice degrees of freedom are simultaneously active may display spatially inhomogeneous electronic ground states. These correlated materials often exhibit remarkable properties, e.g., colossal magnetoresistance, high-temperature superconductivity, heavy fermion behavior, charge density wave orders, and non-Fermi liquid behavior. Understanding these collective states from micro to macro scale is fascinating and can be useful for various technological applications.

This Special Issue aims to compile the observed physical properties and phenomena, elucidate the structure–property correlations in these strongly correlated material systems, and address possible device concepts. Researchers investigating the electronic, magnetic, optical and thermal properties of such systems and their future applications are encouraged to submit articles in full paper, communication and review formats.

Dr. Pinku Roy
Dr. Di Zhang
Dr. Igor Yurkevich
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. Crystals 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 2600 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

colossal magnetoresistance
emergent magnetism
superconductivity
charge density wave

Published Papers (1 paper)

Research

18 pages, 4636 KiB

Open AccessArticle

New Insight into the Electronic and Magnetic Properties of Sub-Stoichiometric WO₃: A Theoretical Perspective

by Mario Italo Trioni, Fausto Cargnoni, Stefano Americo and Raffaella Soave

Crystals 2024, 14(4), 372; https://doi.org/10.3390/cryst14040372 - 16 Apr 2024

Viewed by 403

Abstract

We present a theoretical investigation on the wide-band-gap semiconductor WO

_{3}

We present a theoretical investigation on the wide-band-gap semiconductor WO

_{3}

in its room-temperature monoclinic structure. We carried out density functional theory and GGA-1/2 calculations on the bulk phase and the most stable (001) surface of the material, either in their stoichiometric form or in the presence of oxygen vacancies at various concentrations. Concerning the bulk phase, our results show how the inclusion of these defects correctly reproduces the intrinsic n-type doping of the material. The system is also found to be magnetic at reasonably high defect concentrations. As for the surface, the presence of vacancies gives rise to a magnetic behavior, whose features depend on the relative arrangement of native point defects. Oxygen vacancies are also responsible for additional tungsten oxidation states in both bulk and surface. Based on these results, we provide a rationale for the interpretation of most experimental data of this material and, possibly, other widespread transition metal oxides with similar properties and applications such as ReO