Ab initio description of heterostructural alloys: Thermodynamic and structural properties of Mg_x Zn_1-xO and Cd _xZn_1-xO

Engineering & Materials Science

• Structural properties 100%
• Thermodynamic properties 85%
• Atoms 47%
• Density functional theory 34%
• Chemical analysis 30%
• Crystal structure 29%
• Positive ions 28%
• Free energy 27%
• Solubility 25%
• Elasticity 21%
• Entropy 19%
• Decomposition 16%
• Temperature 9%

Physics & Astronomy

• thermodynamic properties 74%
• wurtzite 45%
• atoms 23%
• solubility 20%
• cations 19%
• free energy 18%
• crystal structure 18%
• statistics 18%
• density functional theory 17%
• elastic properties 17%
• decomposition 17%
• entropy 16%
• approximation 12%
• temperature 6%
• energy 6%

Chemical Compounds

• Thermodynamic Property 81%
• Alloy 64%
• Cohesive Energy 29%
• Crystal System 26%
• Gibbs Free Energy 17%
• Decomposition 14%
• Density Functional Theory 14%
• Cation 13%
• Crystal Structure 11%