Ontology highlight
ABSTRACT:
SUBMITTER: Zhang Y
PROVIDER: S-EPMC5024155 | biostudies-literature | 2016 Sep
REPOSITORIES: biostudies-literature
Zhang Yunkun Y Wu Lailei L Wan Biao B Lin Yangzheng Y Hu Qingyang Q Zhao Yan Y Gao Rui R Li Zhiping Z Zhang Jingwu J Gou Huiyang H
Scientific reports 20160915
First-principles calculations were performed to understand the structural stability, synthesis routes, mechanical and electronic properties of diverse ruthenium nitrides. RuN with a new I-4m2 symmetry stabilized by pressure is found to be energetically preferred over the experimental NaCl-type and ZnS-type ones. The Pnnm-RuN2 is found to be stable above 1.1 GPa, in agreement with the experimental results. Specifically, new stoichiometries like RuN3 and RuN4 are proposed firstly to be thermodynam ...[more]