Keyphrases
Atoms in Molecules
33%
Bader Charge Analysis
33%
Causes of Formation
33%
Charge Transfer
100%
Crystalline Phase
100%
Density Functional Theory
33%
Electronic Lattices
100%
Electronic Structure
100%
First-principles Study
100%
Formation Free Energy
33%
Harmonic Approximation
33%
Increased Temperature
33%
Lattice Vibration
100%
Li Atom
33%
Li15Si4
66%
Loss of Stability
33%
Phonon Contributions
33%
Phonon Density of States
33%
Projected Density of States
33%
Si Phase
100%
Si Structures
33%
Structure Vibration
100%
Structure-property Relationships
33%
Thermodynamic Properties
33%
Total Density of States
33%
Zintl
33%
Chemistry
Density Functional Theory
50%
Density of State
50%
Electronic State
100%
First Principle
100%
Gibbs Energy of Formation
50%
Phonon
50%
Phonon Density of State
50%
Material Science
Crystalline Material
100%
Density
100%
Electronic Structure
100%
Lattice Vibration
100%
Engineering
Crystalline Phase
100%
Energy Engineering
100%
Harmonics
100%
Increasing Temperature
100%