Ab Initio Theories of Magnetism and Many-Electron Effects in Metals
A special issue of Metals (ISSN 2075-4701).
Deadline for manuscript submissions: closed (31 December 2020) | Viewed by 2940
Special Issue Editor
Interests: magnetic and multipolar orders in local-moment systems; the magnetic anisotropy and crystal-field effects in rare-earth compounds, especially in hard-magnetic intermetallics; the interplay of magnetism, heavy-fermion phenomenon and orbital physics; the role of local correlation effects in 3D transition metals, in particular, in iron and its alloys
Special Issue Information
Dear Colleagues,
Metallic states in some solids can be well described using a mean-field picture, where the electron–electron interaction is taken into account through a local static one-electron potential. However, this simple description is insufficient for many systems, where more sophisticated theories must be employed to capture many-electron effects. Such systems are, for example, 3d itinerant ferromagnets in their paramagnetic state above the Curie temperature, metallic 4d oxides exhibiting large electron–electron scattering and non-Fermi liquid electronic structure, and heavy-fermion materials featuring strongly-renormalized quasiparticle bands emerging at temperatures below the characteristic "Kondo" scale. A range of novel first-principles approaches has been developed over the last two decades to describe the highly non-trivial physics of such correlated metals. One may mention, for example, the coherent potential approximation description of the local-moment paramagnetic state, the explicit treatment of local many-electron effects in the framework of dynamical mean-field theory, or the perturbative quasiparticle GW approach.
The present Special Issue will focus on these exciting development in the field of ab initio simulations of metallic systems. We aim to present an overview of recent important advances in the methodology and their applications to various systems. We thus welcome contributions on subjects like the finite-temperature magnetism of transition and rare-earth metals, the electronic structure of heavy-fermion and bad-metal compounds, and the impact of many-electron effects on the structural stability, elasticity and transport.
Dr. Leonid V. Pourovskii
Guest Editor
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Keywords
- Transition metals
- Heavy-fermion compounds
- Rare-earth metals
- Density-functional theory
- Correlation effects
- Electronic spectra
- Magnetism
- Conductivity
- Total energy and structural stability
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