Each sample groups how it was prepared, characterized, and measured. Click a card to expand.
Generic real-space honeycomb-lattice model with A/B sublattice Gaussian potentials used to study bulk photogalvanic response versus inversion-symmetry breaking and gap size.
No measurements recorded
Simulatedgeneric honeycomb lattice modelReference Material
Monolayer hexagonal boron nitride simulated with ab initio TDDFT in a periodic supercell with vacuum padding.
No measurements recorded
Simulated Supercell DfthBNStudied Material
Materials
hexagonal boron nitride
hBN
Studied Material
Also known as
hBNhexagonal boron-nitride
studied material
generic honeycomb lattice model
Reference Material
Why these are connected
Related documents with shared materials, methods, properties, or citations.
Each sample groups how it was prepared, characterized, and measured. Click a card to expand.
Generic real-space honeycomb-lattice model with A/B sublattice Gaussian potentials used to study bulk photogalvanic response versus inversion-symmetry breaking and gap size.
No measurements recorded
Simulatedgeneric honeycomb lattice modelReference Material
Monolayer hexagonal boron nitride simulated with ab initio TDDFT in a periodic supercell with vacuum padding.
No measurements recorded
Simulated Supercell DfthBNStudied Material
Materials
hexagonal boron nitride
hBN
Studied Material
Also known as
hBNhexagonal boron-nitride
studied material
generic honeycomb lattice model
Reference Material
Why these are connected
Related documents with shared materials, methods, properties, or citations.
Each sample groups how it was prepared, characterized, and measured. Click a card to expand.
Generic real-space honeycomb-lattice model with A/B sublattice Gaussian potentials used to study bulk photogalvanic response versus inversion-symmetry breaking and gap size.
No measurements recorded
Simulatedgeneric honeycomb lattice modelReference Material
Monolayer hexagonal boron nitride simulated with ab initio TDDFT in a periodic supercell with vacuum padding.
No measurements recorded
Simulated Supercell DfthBNStudied Material
Materials
hexagonal boron nitride
hBN
Studied Material
Also known as
hBNhexagonal boron-nitride
studied material
generic honeycomb lattice model
Reference Material
Why these are connected
Related documents with shared materials, methods, properties, or citations.
Each sample groups how it was prepared, characterized, and measured. Click a card to expand.
Generic real-space honeycomb-lattice model with A/B sublattice Gaussian potentials used to study bulk photogalvanic response versus inversion-symmetry breaking and gap size.
No measurements recorded
Simulatedgeneric honeycomb lattice modelReference Material
Monolayer hexagonal boron nitride simulated with ab initio TDDFT in a periodic supercell with vacuum padding.
No measurements recorded
Simulated Supercell DfthBNStudied Material
Materials
hexagonal boron nitride
hBN
Studied Material
Also known as
hBNhexagonal boron-nitride
studied material
generic honeycomb lattice model
Reference Material
Why these are connected
Related documents with shared materials, methods, properties, or citations.
Ab initio time-dependent density functional theory for monolayer hBN using Octopus; Kohn-Sham equations solved in the velocity gauge with adiabatic approximation, local-density approximation, and norm-conserving pseudopotentials.Octopus
Settings
k grid72x72 Γ-centered
time step au0.2
grid spacing bohr0.37
spin orbit coupling
property XRD structuresimulation DFTproperty band gapmaterial hBN
Ab initio time-dependent density functional theory for monolayer hBN using Octopus; Kohn-Sham equations solved in the velocity gauge with adiabatic approximation, local-density approximation, and norm-conserving pseudopotentials.Octopus
Settings
k grid72x72 Γ-centered
time step au0.2
grid spacing bohr0.37
spin orbit coupling
property XRD structuresimulation DFTproperty band gapmaterial hBN
Ab initio time-dependent density functional theory for monolayer hBN using Octopus; Kohn-Sham equations solved in the velocity gauge with adiabatic approximation, local-density approximation, and norm-conserving pseudopotentials.Octopus
Settings
k grid72x72 Γ-centered
time step au0.2
grid spacing bohr0.37
spin orbit coupling
property XRD structuresimulation DFTproperty band gapmaterial hBN
Ab initio time-dependent density functional theory for monolayer hBN using Octopus; Kohn-Sham equations solved in the velocity gauge with adiabatic approximation, local-density approximation, and norm-conserving pseudopotentials.Octopus
Settings
k grid72x72 Γ-centered
time step au0.2
grid spacing bohr0.37
spin orbit coupling
property XRD structuresimulation DFTproperty band gapmaterial hBN
