Density-functional study of the cubic-to-rhombohedral transition in α-AIF₃

Chemistry

• Reaction Temperature 100%
• Density Functional Theory 100%
• Interfacial Energy 100%
• Structure 50%
• Heating 50%
• Phase Transition 50%
• Density 50%
• Density of State 50%
• Phonon 50%
• Wave Function 50%
• Antiferroelectricity 50%
• Structural Phase Transition 50%
• Dielectric Function 50%
• Fluorine Ion 50%

Physics

• Temperature 100%
• Phase Transition 100%
• Surface Energy 100%
• Heating 50%
• Dielectrics 50%
• Parameter 50%
• Electrostatics 50%
• Ion 50%
• Density of States 50%
• Density Functional Theory 50%
• Wave Function 50%

INIS

• density functional method 100%
• trigonal lattices 100%
• phase transformations 66%
• surface energy 66%
• space 33%
• heating 33%
• low temperature 33%
• electrostatics 33%
• dielectrics 33%
• density of states 33%
• phonons 33%
• dipoles 33%
• wave functions 33%
• fluorine ions 33%