Thermally induced core-electron binding-energy shifts in transition metals: An experimental investigation of Ta(100).

NMR Shielding in Metals Using the Augmented Plane Wave Method

We present calculations of solid state NMR magnetic shielding in metals, which includes both the orbital and the complete spin response of the system in a consistent way. The latter contains an induced spin-polarization of the core states and needs an all-electron self-consistent treatment. In particular, for transition metals, the spin hyperfine field originates not only from the polarization ...

Thermal and surface core-electron binding-energy shifts in metals.

Ab initio study of screw dislocations in Mo and ta: A new picture of plasticity in bcc transition metals

We report the first ab initio density-functional study of <111> screw dislocation cores in the bcc transition metals Mo and Ta. Our results suggest a new picture of bcc plasticity with symmetric and compact dislocation cores, contrary to the presently accepted picture based on continuum and interatomic potentials. Core energy scales in this new picture are in much better agreement with the Peie...

دینامیک شار در ابررسانای Y3Ba5Cu8O18

We have studied the thermally activated flux creep of a newly fabricated superconductor Y3Ba5Cu8O18 with the superconducting transition temperature 102 K. Analysis of the transition spread from the normal state to superconducting state in the electrical resistivity revealed that the thermally activated flux creep explains the electron share in the vicinity of the transition temperature Tc. The ...

Calculation for Energy of (111) Surfaces of Palladium in Tight Binding Model

In this work calculation of energetics of transition metal surfaces is presented. The tight-binding model is employed in order to calculate the energetics. The tight-binding basis set is limited to d orbitals which are valid for elements at the end of transition metals series. In our analysis we concentrated on electronic effects at temperature T=0 K, this means that no entropic term will be pr...