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First-Principles Study on the Structural, Electronic, Optical, Mechanical, and Adsorption Properties of Cubical Transition Metal Nitrides MN (M = Ti, Zr and Hf)

Ashish Tiwari, R. H. Talwekar, Mohan L. Verma

2021Journal of Electronic Materials27 citationsDOI

Topics & Concepts

Materials scienceDensity functional theoryAdsorptionShear modulusAtom (system on chip)Density of statesBulk modulusElectronic structureTransition metalNitrideThermodynamicsPhysical chemistryComposite materialCondensed matter physicsComputational chemistryChemistryLayer (electronics)Embedded systemBiochemistryPhysicsComputer scienceCatalysisMetal and Thin Film MechanicsMXene and MAX Phase MaterialsSemiconductor materials and devices
First-Principles Study on the Structural, Electronic, Optical, Mechanical, and Adsorption Properties of Cubical Transition Metal Nitrides MN (M = Ti, Zr and Hf) | Litcius