Calculation of bulk modulus and its pressure derivatives from vibrational frequencies and mode Gruneisen parameters: solids with cubic symmetry or one nearest-neighbor distance

Keyphrases

• Vibrational Modes 100%
• One Nearest Neighbour 100%
• Vibrational Frequencies 100%
• Cubic Symmetry 100%
• Bulk Modulus 100%
• Nearest Neighbor Distance 100%
• Pressure Derivative 100%
• Mode Grüneisen Parameter 100%
• Elastic Properties 50%
• Wave Vector 50%
• Electrostatic Force 50%
• N Atoms 50%
• Raman Bands 50%
• Repulsive Potentials 50%
• Zone Centre Phonons 50%
• Infrared Band 50%
• Primitive Unit Cell 50%
• Pressure Derivatives of Bulk Modulus 50%

Chemistry

• Vibrational Frequency 100%
• Bulk Modulus 100%
• Elastic Property 33%
• Raman Band 33%
• Phonon 33%
• Repulsive Potential 33%
• Infrared Band 33%