Constant pressure first-principles molecular dynamics study on BN, AlN, and GaN

Chemical Compounds

• Deformation Potential 53%
• Pressure 51%
• LO Phonon 50%
• Optical Phonon 46%
• Brillouin Zone 46%
• Molecular Dynamics 43%
• Local-Density Approximation 42%
• Elasticity Constant 40%
• Plane Wave 39%
• Pseudopotential 37%
• Displacement 24%
• Force 20%
• Shape 19%
• Density Functional Theory 18%
• Energy 14%

Physics & Astronomy

• molecular dynamics 64%
• atoms 44%
• phonons 40%
• norms 32%
• Brillouin zones 31%
• approximation 31%
• pseudopotentials 29%
• wurtzite 29%
• zinc 26%
• plane waves 24%
• density functional theory 22%
• elastic properties 22%
• harmonics 20%
• expansion 18%
• symmetry 17%
• geometry 16%
• cells 15%
• crystals 14%
• energy 8%

Engineering & Materials Science

• Molecular dynamics 100%
• Phonons 69%
• Atoms 69%
• Local density approximation 46%
• Density functional theory 33%
• Elastic constants 30%
• Zinc 24%
• Crystals 22%
• Geometry 13%