Pressure Induced Transition from NaCl to Wurtzite Phases of the New Hard Coating Zr x Al1−x N
José Sierra‐Ortega, Gene Elizabeth Escorcia-Salas, Edgardo D. Gutiérrez-Senior, Jairo Arbey Rodríguez Mártinez
Abstract
José Sierra‐Ortega, Gene Elizabeth Escorcia-Salas, Edgardo D. Gutiérrez-Senior, Jairo Arbey Rodríguez Mártinez
Abstract
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Key concepts: WIEN2k, Wurtzite crystal structure, Density functional theory, Materials science, Phase transition, Condensed matter physics, Crystallography, Computational chemistry