A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2019; you can also visit the original URL.
The file type is
Due to their useful physical and chemical characteristics, transitional metal borides have attracted much attention. In this study, the structural, thermodynamical, mechanical, dynamical and electronic properties of 5d transitional metal triborides TMB 3 (TM ¼ HfeAu) are investigated by density functional theory. For each triboride, five structures are considered, i.e., m-AlB 2 (modified AlB 2 ), OsB 3 , FeB 3 , WB 3 and TcP 3 structures. The calculated lattice parameters are in good agreementdoi:10.1016/j.cocom.2015.03.001 fatcat:kti3377refawpkmwfzln27jzdm