Two-band second moment model for transition metals and alloys

Two-band second moment model for transition metals and alloys

A semi-empirical formalism based on the second moment tight binding approach, considering two bands is presented for deriving interatomic potentials for magnetic d-band materials. It incorporates an empirical local exchange interaction, which accounts for magnetic effects without increasing the computing time required for force evaluation. The consequences of applying a two-band picture to tran...

Magnetic and Electronic Properties of Liquid Transition Metals and Alloys

We have measured the magnetic susceptibility, the Hall coefficient and the electrical resistivity of liquid transition metals Fe, Co and Ni alloyed with normal metals. Up to now the investigated alloys can be divided into two groups according to the behaviour of the magnetic susceptibility. The typical behaviour is represented by the liquid alloys of Co-Ge and Au-Ni. In the first group the magn...

Monolayer semiconducting transition metal dichalcogenide alloys: Stability and band bowing

and band bowing Jun Kang, Sefaattin Tongay, Jingbo Li, and Junqiao Wu State Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083, China Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA Department of Materials Science and Engineering, University of California,...

Advanced Metals and Alloys

Quantum phase transition in the two-band hubbard model.

The interaction between itinerant and Mott localized electronic states in strongly correlated materials is studied within dynamical mean field theory in combination with the numerical renormalization group method. A novel nonmagnetic zero temperature quantum phase transition is found in the bad-metallic orbital-selective Mott phase of the two-band Hubbard model, for values of the Hund's exchang...