Trends in the elastic response of binary early transition metal nitrides
arXiv:1111.2737 · doi:10.1103/PhysRevB.85.064101
Abstract
Motivated by an increasing demand for coherent data that can be used for selecting materials with properties tailored for specific application requirements, we studied elastic response of nine binary early transition metal nitrides (ScN, TiN, VN, YN, ZrN, NbN, LaN, HfN, and TaN) and AlN. In particular, single crystal elastic constants, Young's modulus in different crystallographic directions, polycrystalline values of shear and Young's moduli, and the elastic anisotropy factor were calculated. Additionally, we provide estimates of the third order elastic constants for the ten binary nitrides.
10 pages, 7 figures
References in corpus (3)
- Effect of magnetic disorder and strong electron correlations on the thermodynamics of CrN
- Ab initio calculations of third-order elastic constants and related properties for selected semiconductors
- Towards predictive modelling of near-edge structures in electron energy loss spectra of AlN based ternary alloys
Cited by in corpus (12)
- Alloying-related trends from first principles: An application to the Ti--Al--X--N system
- Adaptive hard and tough mechanical response in single-crystal B1 VNx ceramics via control of anion vacancies
- Temperature-dependent elastic properties of binary and multicomponent high-entropy refractory carbides
- First-principles study of elastic properties of Cr-Al-N
- Electron-phonon coupling, superconductivity and nontrivial band topology in NbN polytypes
- Ab initio study of the alloying effect of transition metals on structure, stability and ductility of CrN
- Macroscopic Elastic Properties of Textured ZrN--AlN Polycrystalline Aggregates: From Ab initio Calculations to Grain-Scale Interactions
- Stability and elasticity of metastable solid solutions and superlattices in the MoN-TaN system: a first-principles study
- Strength, transformation toughening and fracture dynamics of rocksalt-structure Ti1-xAlxN (0 <= x <= 0.75) alloys
- Electronic, structural, and elastic properties of metal nitrides XN (X = Sc, Y): A first principle study
- Modeling refractory high-entropy alloys with efficient machine-learned interatomic potentials: defects and segregation
- Pressure-Induced Mechanical Instabilities in Cubic SiC: Structural and Electronic Properties