Add to ORKGA model has been developed that is capable of describing the structural and lattice dynamical properties of the reconstructed W(100), and the closely related Mo(100) and Cr(100), surfaces. In particular the different reconstructions (both commensurate and incommensurate) that are seen on the clean neutral surface, on a high-field FIM tip and on H-covered surfaces, are found to belong to the same T equals O surface ″phase diagram″
Density functional theory (DFT) calculations with a PBE+U functional and a larger supercell than use...
In this work the modulus sum function is briefly introduced and its applicability to the automated i...
The geometry and the vibrational properties of (2 root 2 x root 2) missing row reconstructed O/Cu(00...
A model has been developed that is capable of describing the structural and lattice dynamical proper...
We review the surface reconstruction of the bcc (100) transition metal surface, particularly W(100) ...
A model for the reconstructions of the W(100) surface is presented. Four types of distortions are ob...
The work is concerned with (100) surfaces of tungsten, molybdenum, tantalum and (110) surfaces of tu...
We present a model lattice dynamical study of the Mo(100) incomensurate reconstruction. We find that...
A comparative study regarding to a driving mechanism for the reconstructions of the (001) surface of...
We present a model lattice dynamical study of the Mo(100) incomensurate reconstruction. We find that...
In this paper we discuss the microscopical origin of the reconstruction of the clean and covered met...
The driving force for the W(001) surface reconstruction and electronic structures of pristine and H-...
Surface energies and relaxations are calculated within the tight-binding formalism and includ-ing al...
Nous avons utilisé la spectroscopie de perte d'énergie d'électrons par réflexion (REELS) pour suivre...
Nous introduisons une approche simple et qualitative du type Jahn-Teller pour décrire la reconstruct...
Density functional theory (DFT) calculations with a PBE+U functional and a larger supercell than use...
In this work the modulus sum function is briefly introduced and its applicability to the automated i...
The geometry and the vibrational properties of (2 root 2 x root 2) missing row reconstructed O/Cu(00...
A model has been developed that is capable of describing the structural and lattice dynamical proper...
We review the surface reconstruction of the bcc (100) transition metal surface, particularly W(100) ...
A model for the reconstructions of the W(100) surface is presented. Four types of distortions are ob...
The work is concerned with (100) surfaces of tungsten, molybdenum, tantalum and (110) surfaces of tu...
We present a model lattice dynamical study of the Mo(100) incomensurate reconstruction. We find that...
A comparative study regarding to a driving mechanism for the reconstructions of the (001) surface of...
We present a model lattice dynamical study of the Mo(100) incomensurate reconstruction. We find that...
In this paper we discuss the microscopical origin of the reconstruction of the clean and covered met...
The driving force for the W(001) surface reconstruction and electronic structures of pristine and H-...
Surface energies and relaxations are calculated within the tight-binding formalism and includ-ing al...
Nous avons utilisé la spectroscopie de perte d'énergie d'électrons par réflexion (REELS) pour suivre...
Nous introduisons une approche simple et qualitative du type Jahn-Teller pour décrire la reconstruct...
Density functional theory (DFT) calculations with a PBE+U functional and a larger supercell than use...
In this work the modulus sum function is briefly introduced and its applicability to the automated i...
The geometry and the vibrational properties of (2 root 2 x root 2) missing row reconstructed O/Cu(00...