Modified Becke–Johnson potential inspired electronic and optical properties of memory storage materials PbSbb class="a-plus-plus">2b>Teb class="a-plus-plus">4b> and SnSbb class="a-plus-plus">2b>Teb class="a-plus-plus">4b>

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• 作者：Sonal Talreja ; B. L. Ahuja
• 刊名：Journal of Materials Science
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：52
• 期：1
• 页码：346-352
• 全文大小：2,727 KB
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Chemistry<br>Materials Science<br>Characterization and Evaluation Materials<br>Polymer Sciences<br>Continuum Mechanics and Mechanics of Materials<br>Crystallography<br>Mechanics<br>
• 出版者：Springer Netherlands
• ISSN：1573-4803
• 卷排序：52

文摘

Electronic and optical response of two ternary isostructural phase change materials PbSbb>2b>Teb>4b> and SnSbb>2b>Teb>4b> are computed using the full potential linearized augmented plane wave scheme. Accuracy of electronic and optical properties was ensured by employing the modified Becke–Johnson (mBJ) exchange potential within the density functional theory. The energy bands and density of states show a band gap of 0.48 and 0.30 eV for PbSbb>2b>Teb>4b> and SnSbb>2b>Teb>4b>, respectively. First-ever optical features, such as dielectric constants, refractive indices, reflection spectra, extinction coefficients of PbSbb>2b>Teb>4b> and SnSbb>2b>Teb>4b>, are calculated and analyzed to explore the applicability of both the compounds in memory storage devices.