Ab initio calculation of structural, electronic and phonon properties of ZrRu and ZrZn in B2 phase
Author:
Publisher
Elsevier BV
Subject
Electrical and Electronic Engineering,Condensed Matter Physics,Electronic, Optical and Magnetic Materials
Reference17 articles.
1. The standard enthalpies of formation of some intermetallic compounds of early 4d and 5d transition metals by high temperature direct synthesis calorimetry
2. Contribution to the Zr-rich part of the Zn-Zr phase diagram
3. Structural properties of ordered high-melting-temperature intermetallic alloys from first-principles total-energy calculations
4. Structural instability in the B2-type ordered alloys Zr (Ru,Rh) and Zr (Ru,Pd)
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1. First-principles predictions of anisotropies in elasticity and sound velocities of CsCl-type refractory intermetallics: TiTM, ZrTM and HfTM (TM = Fe, Ru, Os);Philosophical Magazine;2019-07-03
2. DFT investigation of electronic, phonon and thermodynamic behavior: RuZr;AIP Conference Proceedings;2019
3. High pressure phonon and thermodynamic properties of Ru based intermetallics: A DFT investigation;Journal of Physics and Chemistry of Solids;2018-11
4. Internally Oxidized Ru–Zr Multilayer Coatings;Coatings;2017-03-23
5. Ab-initio study of the structural, electronic, elastic and vibrational properties of HfX (X = Rh, Ru and Tc);Philosophical Magazine Letters;2017-02-15
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