We performed total energy calculations for several transition metal systems showing Invar and anti-Invar anomalies using methods based on the LMTO technique. The sensibility of the magnetic properties against the number of valence electrons per atom and to external pressure has been analyzed and compared with experiment. The influence of substitutional disorder on the electronic properties of Ni-Fe and Fe-Cr is briefly discussed
Ab-initio band structure methods were applied to investigate various mechanisms driving the Co subsy...
Disorder in crystalline materials can take different forms and originate from different sources. In ...
Le modèle du ferromagnétisme itinérant permet de discuter qualitativement et quantitativement la dép...
It is shown how super cell (SC) total energy calculations can be instructive for the understanding o...
States of magnetic and compositional order are strongly coupled in many magnetic alloys, with Ni-Fe ...
Zero- and finite-temperature (T) first-principles calculations versus composition (c) show that magn...
. We have reproduced magneto-volume effects typical for Invar alloys by examining a spin-analogous m...
We use the first principle TB-LMTO (Tight-Binding Linear Muffin Tin Orbital) method combined with th...
Long lasting discussions about the INVAR effect involve a two-spin-state model. Recent measurements ...
We have studied the magnetic and structural properties of synthetic and meteoritic face centred cubi...
Systematics concerning magnetic and structural phase transitions within Fe-based sytems can be achie...
We review recent developments in the field of first-principles simulations of magnetic materials abo...
We review recent developments in the field of first-principles simulations of magnetic materials abo...
Disorder in crystalline materials can take different forms and originate from different sources. In ...
The electronic structure of invar alloys (i.e. materials in which the near absence of thermal expans...
Ab-initio band structure methods were applied to investigate various mechanisms driving the Co subsy...
Disorder in crystalline materials can take different forms and originate from different sources. In ...
Le modèle du ferromagnétisme itinérant permet de discuter qualitativement et quantitativement la dép...
It is shown how super cell (SC) total energy calculations can be instructive for the understanding o...
States of magnetic and compositional order are strongly coupled in many magnetic alloys, with Ni-Fe ...
Zero- and finite-temperature (T) first-principles calculations versus composition (c) show that magn...
. We have reproduced magneto-volume effects typical for Invar alloys by examining a spin-analogous m...
We use the first principle TB-LMTO (Tight-Binding Linear Muffin Tin Orbital) method combined with th...
Long lasting discussions about the INVAR effect involve a two-spin-state model. Recent measurements ...
We have studied the magnetic and structural properties of synthetic and meteoritic face centred cubi...
Systematics concerning magnetic and structural phase transitions within Fe-based sytems can be achie...
We review recent developments in the field of first-principles simulations of magnetic materials abo...
We review recent developments in the field of first-principles simulations of magnetic materials abo...
Disorder in crystalline materials can take different forms and originate from different sources. In ...
The electronic structure of invar alloys (i.e. materials in which the near absence of thermal expans...
Ab-initio band structure methods were applied to investigate various mechanisms driving the Co subsy...
Disorder in crystalline materials can take different forms and originate from different sources. In ...
Le modèle du ferromagnétisme itinérant permet de discuter qualitativement et quantitativement la dép...