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Structural Properties of CuCl, CuBr, and CuI Compounds under Hydrostatic Pressure
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class="card"> <div class="card-body"><strong>Paper Count:</strong> 87356</div> </div> </div> </div> <div class="card publication-listing mt-3 mb-3"> <h5 class="card-header" style="font-size:.9rem">Structural Properties of CuCl, CuBr, and CuI Compounds under Hydrostatic Pressure</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=S.%20Louhibi-Fasla">S. Louhibi-Fasla</a>, <a href="https://publications.waset.org/abstracts/search?q=H.%20Rekab%20Djabri"> H. Rekab Djabri</a>, <a href="https://publications.waset.org/abstracts/search?q=H.%20Achour"> H. Achour</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The aim of this work is to investigate the structural phase-transitions and electronic properties of copper halides. Our calculations were performed within the PLW extension to the first principle FPLMTO method, which enables an accurate treatment of all kinds of structures including the open ones. Results are given for lattice parameters, bulk modulus and its first derivatives in five different surface phases, and are compared with the available theoretical and experimental data. In the zinc-blende (B3) and PbO (B10) phases, the fundamental gap remains direct with both the top of VB and the bottom of CB located at 螕. <iframe src="https://publications.waset.org/abstracts/19271.pdf" style="width:100%; height:400px;" frameborder="0"></iframe> <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=FPLMTO" title="FPLMTO">FPLMTO</a>, <a href="https://publications.waset.org/abstracts/search?q=structural%20properties" title=" structural properties"> structural properties</a>, <a href="https://publications.waset.org/abstracts/search?q=Copper%20halides" title=" Copper halides"> Copper halides</a>, <a href="https://publications.waset.org/abstracts/search?q=phase%20transitions" title=" phase transitions"> phase transitions</a>, <a href="https://publications.waset.org/abstracts/search?q=ground%20state%20phase" title=" ground state phase"> ground state phase</a> </p> <a 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