Lattice dynamics of simple metals is formulated using the pseudopotential method with a nonlocal pseudopotential. The core wave functions needed in the pseudopotential are required to satisfy the boundary conditions on the atomic cell. The screening effects due to conduction electrons are treated in Hartree approximation and a simple approach is also suggested to incorporate exchange and correlation effects. Explicit expressions are obtained for phonon frequencies
International audienceThis paper is focused on the static and the dynamic behaviour of an axial latt...
This article reviews the current status of lattice-dynamical calculations in crystals, using density...
International audienceThis paper is focused on the static and the dynamic behaviour of an axial latt...
Lattice dynamics of simple metals is formulated using the pseudopotential method with a nonlocal pse...
The formulation given earlier for the lattice dynamics of simple metals using the nonlocal pseudopot...
The formulation given earlier for the lattice dynamics of simple metals using the nonlocal pseudopot...
The formulation proposed earlier for the lattice dynamics of simple metals using the pseudopotential...
The lattice dynamics of Be is discussed within the framework of the local pseudopotential approximat...
We present a practical approach to calculate the complex band structure of an electrode for quantum ...
We present a practical approach to calculate the complex band structure of an electrode for quantum ...
The change I in potential due to a phonon is expressed in terms of the susceptibility and the effect...
The dynamic matrix of simple metals is set up by evaluating the total electron energy to the third o...
The dynamic matrix of simple metals is set up by evaluating the total electron energy to the third o...
We generalize density-functional perturbation theory for lattice dynamics to Vanderbilt's ultrasoft ...
International audienceThis paper is focused on the static and the dynamic behaviour of an axial latt...
International audienceThis paper is focused on the static and the dynamic behaviour of an axial latt...
This article reviews the current status of lattice-dynamical calculations in crystals, using density...
International audienceThis paper is focused on the static and the dynamic behaviour of an axial latt...
Lattice dynamics of simple metals is formulated using the pseudopotential method with a nonlocal pse...
The formulation given earlier for the lattice dynamics of simple metals using the nonlocal pseudopot...
The formulation given earlier for the lattice dynamics of simple metals using the nonlocal pseudopot...
The formulation proposed earlier for the lattice dynamics of simple metals using the pseudopotential...
The lattice dynamics of Be is discussed within the framework of the local pseudopotential approximat...
We present a practical approach to calculate the complex band structure of an electrode for quantum ...
We present a practical approach to calculate the complex band structure of an electrode for quantum ...
The change I in potential due to a phonon is expressed in terms of the susceptibility and the effect...
The dynamic matrix of simple metals is set up by evaluating the total electron energy to the third o...
The dynamic matrix of simple metals is set up by evaluating the total electron energy to the third o...
We generalize density-functional perturbation theory for lattice dynamics to Vanderbilt's ultrasoft ...
International audienceThis paper is focused on the static and the dynamic behaviour of an axial latt...
International audienceThis paper is focused on the static and the dynamic behaviour of an axial latt...
This article reviews the current status of lattice-dynamical calculations in crystals, using density...
International audienceThis paper is focused on the static and the dynamic behaviour of an axial latt...