Keyphrases
Temperature Effect
100%
First-principles
72%
Phonons
67%
Finite Temperature
42%
First-principles Calculations
36%
Ab Initio Molecular Dynamics
33%
Thermal Conductivity
33%
High Temperature
31%
Effective Potential
30%
Anharmonicity
26%
Ab Initio Calculations
25%
Thermal Expansion
23%
Free Energy
23%
Density Functional Theory
23%
Quasi-harmonic Approximation
20%
Phonon Dispersion
19%
Phase Transition
19%
Lattice Thermal Conductivity
19%
Phonon Modes
18%
Room Temperature
18%
Phonon Lifetime
17%
Thermoelectric
17%
Inelastic Neutron Scattering
16%
Lattice Vibration
16%
PbTe
15%
Halide Perovskites
14%
Ab Initio Simulations
14%
Interatomic Force Constants
14%
Thermodynamic Properties
14%
Thermal Transport Properties
13%
Material Properties
13%
Sodium Chloride
13%
Raman Scattering
13%
Phase Stability
13%
Lattice Dynamics
12%
Electron-phonon Interaction
12%
Body-centered Cubic
12%
Thermal Disorder
12%
Magnetic Disorder
11%
Elastic Constants
11%
Anharmonic Lattice Dynamics
11%
Electronic Properties
10%
Ti1-xAlxN
10%
Electronic Topological Transition
10%
Many-body Effects
10%
Pseudopotential
10%
Real Space
10%
PbSe
10%
Nuclear Quantum Effects
10%
Transition Metal Dichalcogenides
10%
Material Science
Thermal Conductivity
65%
Lattice Vibration
49%
Density
45%
Thermal Expansion
32%
Thermoelectrics
30%
Ab Initio Calculation
23%
Surface (Surface Science)
23%
Halide
18%
Energy Levels
17%
Nitride Compound
15%
Elasticity
14%
Single Crystal
14%
Crystal Structure
14%
Ab Initio Simulation
14%
Silicon
12%
Ferroelectric Material
12%
Materials Property
11%
Theoretical Calculation
11%
Structural Dynamics
10%
Monolayers
10%
Cerium Oxide
10%
Curie Temperature
10%
Transition Metal Dichalcogenide
10%
Magnetic Alloys
10%
Vanadium
10%
Magnetic Material
10%
Phase Composition
10%
Lineshape
9%
Thermal Property
9%
Thin Films
9%
Anisotropy
9%
Chalcogenides
8%
Dielectric Material
8%
Electronic Property
8%
Negative Thermal Expansion
7%
Electrical Resistivity
7%
Crystalline Material
7%
Nanostructure
7%
Thermoelectric Materials
7%
Thermal Resistivity
6%
Alloying
6%
Oxide Compound
6%
Optical Property
6%
Surface Energy
5%
Ionic Conductivity
5%
Silicon Dioxide
5%
Polyethylene
5%
Chromium Alloys
5%
Niobium Alloys
5%
Polymorphism
5%
Chemistry
Phonon
65%
First Principle
30%
Thermal Conductivity
27%
Anharmonicity
23%
Molecular Dynamics
20%
Density Functional Theory
15%
Free Energy
15%
Ab Initio Calculation
15%
Inelastic Neutron Scattering
13%
Thermoelectricity
13%
Halide
12%
Silicon
11%
Nitride
11%
Pseudopotential
10%
Raman Spectra
10%
Thermal Expansion
10%
Ambient Reaction Temperature
10%
Molecular dynamics simulation
9%
Force Constant
9%
stability
9%
Phase Diagrams
8%
Single Crystalline Solid
8%
Optoelectronics
7%
Phase Composition
7%
Phase Space
7%
Band Gap
6%
Neutron Scattering
6%
Transport Property
6%
Anharmonic Lattice Dynamics
6%
Crystal Structure
6%
Self-Energy
6%
Finite-Temperature
5%
electronics
5%
Nonequilibrium
5%
Cerium
5%
Pbam
5%
Antiferroelectricity
5%
Oxygen Vacancy
5%
Heat Capacity
5%
Solid Solubility
5%
Phase Stability
5%
Crystal Chemistry
5%
Antiferromagnetic
5%
Purity
5%
Light Element
5%
Body-Centered Cubic Crystal System
5%
Diffusion Coefficient
5%
Molecular Crystal
5%
Solar Energy Conversion
5%
Vanadium
5%
