Effect of substitutional Cu atoms on the electronic and optical properties of KCl: A DFT approach

Química

• Electronic Band Structure 65%
• Electronic Property 53%
• Augmented Plane Wave Method 51%
• Band Gap 48%
• Dielectric Function 48%
• Optical Property 47%
• Local-Density Approximation 46%
• Electronic Excitation 39%
• Fermi Level 37%
• Valence Band 35%
• Conduction Band 34%
• Density of State 34%
• Lattice Parameter 31%
• Semiconductor 24%
• Absorption Spectrum 23%
• Density Functional Theory 20%
• Energy 15%

Ingeniería y ciencia de los materiales

• Electronic properties 100%
• Density functional theory 96%
• Potassium chloride 87%
• Optical properties 80%
• Atoms 67%
• Band structure 22%
• Energy gap 18%
• Local density approximation 16%
• Valence bands 14%
• Fermi level 13%
• Conduction bands 13%
• Lattice constants 12%
• Absorption spectra 11%
• Semiconductor materials 7%