The exemplars of gold carbide AuC in cubic F-43m structure and cluster form Au 6 C 3 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.
CITATION STYLE
Thuan, N. K., Van Hiep, V., Anh, D. T. K., & Nhat, H. N. (2015). Stable gold carbide nanostructures. In Materials Transactions (Vol. 56, pp. 1383–1386). Japan Institute of Metals (JIM). https://doi.org/10.2320/matertrans.MA201530
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