Journal of Modern Materials 2021-04-01T15:40:17+00:00 J. Modern Mater. [AIJR] Open Journal Systems <p align="justify"><a title="Click for Journal homepage" href="" target="_blank" rel="noopener"><img style="float: right; padding-left: 15px; padding-right: 5px;" src="/public/site/images/aabahishti/JMM_cover_page.jpg" alt="JMM"></a> Journal of Modern Materials aims to enhance international exchange of scientific research activities related to all aspects of Material Science. It is an open access, peer-reviewed, materials research journal publishing quality research papers by AIJR Publisher.<br>Journal of modern materials is registered with CrossRef with doi: 10.21467/jmm&nbsp;and ISSN of this journal is &nbsp;2456-4834 [online].</p> Structure and New Substructure of α-Ti2O3: X-ray Diffraction and Theoretical Study 2021-01-20T10:34:59+00:00 Soumia Merazka Lamia Hammoudi Mohammed Kars Mohamed Sidoumou Thierry Roisnel <p>The Crystal structure of both <em>α</em>-Ti<sub>2</sub>O<sub>3 </sub>and its new substructure with a halved c-axis has been investigated by single-crystal X-ray diffraction and density functional theory (DFT) calculations. The <em>α</em>-Ti<sub>2</sub>O<sub>3 </sub>substructure described in the R-3m space group, reveals an unusual 12-fold high coordination of Ti atoms forming edge and face-sharing distorted hexagonal prisms TiO<sub>12 </sub>stacking along the c-axis. The Hubbard-corrections predict a close bandgap for both α-Ti<sub>2</sub>O<sub>3</sub> and its substructure; whereas a comparative study of their relative stability indicates that the substructure is thermodynamically less stable.</p> 2021-04-01T00:00:00+00:00 Copyright (c) 2021 Soumia Merazka, Lamia Hammoudi, Mohammed Kars, Mohamed Sidoumou, Thierry Roisnel