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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
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