eprintid: 1816
rev_number: 6
eprint_status: archive
userid: 5
dir: disk0/00/00/18/16
datestamp: 2016-07-11 12:46:42
lastmod: 2016-07-11 12:47:25
status_changed: 2016-07-11 12:46:42
type: article
metadata_visibility: show
creators_name: Nguyen, Khac Thuan
creators_name: Vuong, Van Hiep
creators_name: Do, Thi Kim Anh
creators_name: Hoang, Nam Nhat
creators_id: nhathn@vnu.edu.vn
title: Stable Gold Carbide Nanostructures
ispublished: pub
subjects: Phys
divisions: fac_physic
abstract: 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.
date: 2015
date_type: published
full_text_status: none
publication: Materials Transactions
volume: 56
number: 9
pagerange: 1383-186
refereed: TRUE
citation:   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.