We outline a Kohn-Sham-Dirac density functional theory (DFT) scheme for graphene sheets that treats slowly varying inhomogeneous external potentials and electron-electron interactions on equal footing. The theory is able to account for the unusual property that the exchange-correlation contribution to chemical potential increases with carrier density in graphene. The consequences of this property and advantages and disadvantages of using the DFT approach to describe it are discussed. The approach is illustrated by solving the Kohn-Sham-Dirac equations self-consistently for a model random potential describing charged pointlike impurities located close to the graphene plane. The influence of electron-electron interactions on these nonlinear s...
The correlation of odd electrons in graphene turns out to be significant so that the species should ...
This paper reviews the theoretical work undertaken using density functional theory (DFT) to explore ...
We calculate the long-wavelength static screening properties of both neutral and doped graphene in t...
We outline a Kohn-Sham-Dirac density functional theory (DFT) scheme for graphene sheets that treats ...
We outline a Kohn-Sham-Dirac density functional theory (DFT) scheme for graphene sheets that treats ...
Single-layer graphene sheets are typically characterized by long-wavelength corrugations (ripples) w...
Single-layer graphene sheets are typically characterized by long-wavelength corrugations (ripples) w...
Single-layer graphene sheets are typically characterized by long-wavelength corrugations (ripples) w...
Single-layer graphene sheets are typically characterized by long-wavelength corrugations (ripples) w...
Single-layer graphene sheets are typically characterized by long-wavelength corrugations (ripples) w...
A density-functional approach on the hexagonal graphene lattice is developed using an exact numerica...
A density-functional approach on the hexagonal graphene lattice is developed using an exact numerica...
Adiabatic and vertical ionization potentials (IPs) of finite-size graphene sheets as a function of s...
In this communication, we present results of theoretical studies of various systems where Van der Wa...
The correlation of odd electrons in graphene turns out to be significant so that the species should ...
The correlation of odd electrons in graphene turns out to be significant so that the species should ...
This paper reviews the theoretical work undertaken using density functional theory (DFT) to explore ...
We calculate the long-wavelength static screening properties of both neutral and doped graphene in t...
We outline a Kohn-Sham-Dirac density functional theory (DFT) scheme for graphene sheets that treats ...
We outline a Kohn-Sham-Dirac density functional theory (DFT) scheme for graphene sheets that treats ...
Single-layer graphene sheets are typically characterized by long-wavelength corrugations (ripples) w...
Single-layer graphene sheets are typically characterized by long-wavelength corrugations (ripples) w...
Single-layer graphene sheets are typically characterized by long-wavelength corrugations (ripples) w...
Single-layer graphene sheets are typically characterized by long-wavelength corrugations (ripples) w...
Single-layer graphene sheets are typically characterized by long-wavelength corrugations (ripples) w...
A density-functional approach on the hexagonal graphene lattice is developed using an exact numerica...
A density-functional approach on the hexagonal graphene lattice is developed using an exact numerica...
Adiabatic and vertical ionization potentials (IPs) of finite-size graphene sheets as a function of s...
In this communication, we present results of theoretical studies of various systems where Van der Wa...
The correlation of odd electrons in graphene turns out to be significant so that the species should ...
The correlation of odd electrons in graphene turns out to be significant so that the species should ...
This paper reviews the theoretical work undertaken using density functional theory (DFT) to explore ...
We calculate the long-wavelength static screening properties of both neutral and doped graphene in t...