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High-pressure x-ray diffraction and ab initio study of Ni2Mo3N, Pd2Mo3N, Pt2Mo3N, Co3Mo3N, and Fe3Mo3N: Two families of ultra-incompressible bimetallic interstitial nitrides

DOI: 10.1103/PhysRevB.82.174105 DOI Help

Authors: D. Errandonea (Universidad de Valencia) , Ch. Ferrer-roca (Universidad de Valencia) , D. Martínez-garcia (Universidad de Valencia) , A. Segura (Universidad de Valencia) , O. Gomis (Universidad Politécnica de Valencia) , A. Muñoz (Universidad de La Laguna) , P. Rodríguez-hernández (Universidad de La Laguna) , J. López-solano (Universidad de La Laguna) , S. Alconchel (Universidad Nacional del Litoral) , F. Sapiña (Universitat de Valencia)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Review B

State: Published (Approved)
Published: November 2010
Diamond Proposal Number(s): 3652

Abstract: We have studied by means of high-pressure x-ray diffraction the structural stability of Ni2Mo3N, Co3Mo3N, and Fe3Mo3N. We also report ab initio computing modeling of the high-pressure properties of these compounds, Pd2Mo3N and Pt2Mo3N. We have found that the nitrides remain stable in the ambient-pressure cubic structure at least up to 50 GPa and determined their equation of state. All of them have a bulk modulus larger than 300 GPa. Single-crystal elastic constants have been calculated in order to quantify the stiffness of the investigated nitrides. We found that they should have a Vickers hardness similar to that of cubic spinel nitrides such as γ-Si3N4.

Subject Areas: Physics


Instruments: I15-Extreme Conditions