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Stable Gold Carbide Nanostructures

Nguyen, Khac Thuan and Vuong, Van Hiep and Do, Thi Kim Anh and Hoang, Nam Nhat (2015) Stable Gold Carbide Nanostructures. Materials Transactions, 56 (9). pp. 1383-186.

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The exemplars of gold carbide AuC in cubic F-43m structure and cluster form Au<sub>6</sub>C<sub>3</sub> are reported. The characteristics of structures were obtained on basis of Time-Dependent Density Functional Theory (TD-DFT) embedded within the framework of Generalized Gradient Approximation (GGA) and utilized Pardew-Burke-Ernzerhof functional (PBE) and spin-polarized wave functions. We found that the modeled forms of gold carbide exhibited no ferromagnetism while maintaining metallic ground state. The calculation showed the dominance of optical transitions which preserved spin.

Item Type: Article
Subjects: Engineering Physics
Divisions: Faculty of Engineering Physics and Nanotechnology (FEPN)
Depositing User: Ms. Cam Le Tran Thi
Date Deposited: 11 Jul 2016 12:46
Last Modified: 11 Jul 2016 12:47

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