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By using Density Functional Theory, First Principle Calculation has been performed <br /> <br /> <br /> <br /> <br /> <br /> to investigate electronic and magnetic properties of Hydrogenated Germanene. <br /> <br /> <br /> <br /...
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Format: | Theses |
Language: | Indonesia |
Online Access: | https://digilib.itb.ac.id/gdl/view/19437 |
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Institution: | Institut Teknologi Bandung |
Language: | Indonesia |
Summary: | By using Density Functional Theory, First Principle Calculation has been performed <br />
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to investigate electronic and magnetic properties of Hydrogenated Germanene. <br />
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As Silicene honeycomb structure, pristine Germanene also has three <br />
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kinds of stable condition: planar, low buckling, and high buckling. Both planar <br />
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and high buckling honeycomb structure have metallic properties, whereas low <br />
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buckling is semi-metal with zero band gap. Compare to planar and high buckling, <br />
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low bucking is the most stable structure. This result is comparable to other <br />
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works. Low buckling has been performed with hydrogen atoms with several con- <br />
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figurations. Chairlike Obtuse and Boatlike Obtuse configuration become the most <br />
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stable configuration. Both of those configuration are semiconductor. Only for <br />
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Chairlike Obtuse configuration, it has non zero magnetic moment. Comparing <br />
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with 100 percent Hydrogenated Silicene and 100 percent Hydrogenated Graphene, <br />
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100 percent Hydrogenated Germanene has the smallest band gap energy. |
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