%0 Journal Article
%A Nguyen, Khac Thuan
%A Vuong, Van Hiep
%A Do, Thi Kim Anh
%A Hoang, Nam Nhat
%D 2015
%F SisLab:1816
%J Materials Transactions
%N 9
%P 1383-186
%T Stable Gold Carbide Nanostructures
%U https://eprints.uet.vnu.edu.vn/eprints/id/eprint/1816/
%V 56
%X 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.