Elastic and electronic properties of hexagonal rhenium sub-nitrides Re3N and Re2N in comparison with hcp-Re and wurtzite-like rhenium mononitride ReN - Condensed Matter > Materials ScienceReport as inadecuate




Elastic and electronic properties of hexagonal rhenium sub-nitrides Re3N and Re2N in comparison with hcp-Re and wurtzite-like rhenium mononitride ReN - Condensed Matter > Materials Science - Download this document for free, or read online. Document in PDF available to download.

Abstract: Very recently, two new hexagonal rhenium sub-nitrides Re3N and Re2N, whichbelong to a rather rare group of known metal-rich M-N > 1 nitrides of heavy4d,5d metals, have been successfully synthesized, and their potentialtechnological applications as ultra-incompressible materials have beenproposed. In this work we present a detailed ab initio study of novel rheniumsub-nitrides in comparison with hcp-Re and wurtzite-like rhenium mono-nitrideReN, with the purpose to evaluate the trends of the elastic, electronicproperties and chemical bonding in the series of these hexagonal systems as afunction of the Re-N stoichiometry: Re ightarrow Re3N ightarrow Re2N ightarrow ReN.



Author: V. V. Bannikov, I. R. Shein, A. L. Ivanovskii

Source: https://arxiv.org/







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