New Metal Nitride Compounds: Can they be Synthesized at High-Pressures?

被引：0

作者：

Kroll, Peter ^{[1
]}

机构：

[1] Univ Texas Arlington, Arlington, TX 76019 USA

来源：

NITRIDES AND RELATED BULK MATERIALS | 2008年 / 1040卷

关键词：

D O I：

10.1557/PROC-1040-Q09-23

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We apply our procedure of including nitrogen fugacity into thermochemical calculations to compute phase diagrams in the rhenium-nitrogen and ruthenium-nitrogen systems. The combination of first-principle and thermochemical calculations let us predict the sequential nitridation of Re at high-pressure/high-temperature conditions. At 3000 K, Re will react with nitrogen at about 32 GPa yielding ReN. Formation of ReN2 with CoSb2-type structure is predicted for pressures exceeding 50 GPa at this temperature. The recently proposed marcasite-type RuN2 will be attainable at 3000 K at pressures above 30 GPa from a mixture of Ru and RuN2.

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