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Author(s):
ZHANG, R. F.; Legut, D.; Lin, Z. J.; Zhao, Y. S.; Mao, H. K.; VEPREK, S. 
Title:
Stability and Strength of Transition-Metal Tetraborides and Triborides 
Abstract:
Using density functional theory, we show that the long-believed transition-metal tetraborides (TB4) of tungsten and molybdenum are in fact triborides (TB3). This finding is supported by thermodynamic, mechanical, and phonon instabilities of TB4, and it challenges the previously proposed origin of superhardness of these compounds and the predictability of the generally used hardness model. Theoretical calculations for the newly identified stable TB3 structure correctly reproduce their structural...    »
 
Journal title:
PHYSICAL REVIEW LETTERS 
Year:
2012 
Journal volume:
108 
Journal issue:
25