Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications
H Ebert, D Koedderitzsch, J Minar - Reports on Progress in …, 2011 - iopscience.iop.org
The modern version of the KKR (Korringa–Kohn–Rostoker) method represents the
electronic structure of a system directly and efficiently in terms of its single-particle Green's …
electronic structure of a system directly and efficiently in terms of its single-particle Green's …
First-principles theory of dilute magnetic semiconductors
K Sato, L Bergqvist, J Kudrnovský, PH Dederichs… - Reviews of modern …, 2010 - APS
This review summarizes recent first-principles investigations of the electronic structure and
magnetism of dilute magnetic semiconductors (DMSs), which are interesting for applications …
magnetism of dilute magnetic semiconductors (DMSs), which are interesting for applications …
Ab initio calculations of exchange interactions, spin-wave stiffness constants, and Curie temperatures of Fe, Co, and Ni
We have calculated Heisenberg exchange parameters for bcc Fe, fcc Co, and fcc Ni using
the nonrelativistic spin-polarized Green-function technique within the tight-binding linear …
the nonrelativistic spin-polarized Green-function technique within the tight-binding linear …
Weyl node and spin texture in trigonal tellurium and selenium
We study Weyl nodes in materials with broken inversion symmetry. We find based on first-
principles calculations that trigonal Te and Se have multiple Weyl nodes near the Fermi …
principles calculations that trigonal Te and Se have multiple Weyl nodes near the Fermi …
[HTML][HTML] Questaal: A package of electronic structure methods based on the linear muffin-tin orbital technique
This paper summarises the theory and functionality behind Questaal, an open-source suite
of codes for calculating the electronic structure and related properties of materials from first …
of codes for calculating the electronic structure and related properties of materials from first …
[HTML][HTML] Ultrafast spin-currents and charge conversion at 3d-5d interfaces probed by time-domain terahertz spectroscopy
Spintronic structures are extensively investigated for their spin–orbit torque properties,
required for magnetic commutation functionalities. Current progress in these materials is …
required for magnetic commutation functionalities. Current progress in these materials is …
Non-collinear magnetoelectronics
The electron transport properties of hybrid ferromagnetic| normal metal structures such as
multilayers and spin valves depend on the relative orientation of the magnetization direction …
multilayers and spin valves depend on the relative orientation of the magnetization direction …
Topological Dirac nodal lines and surface charges in fcc alkaline earth metals
In nodal-line semimetals, the gaps close along loops in k space, which are not at high-
symmetry points. Typical mechanisms for the emergence of nodal lines involve mirror …
symmetry points. Typical mechanisms for the emergence of nodal lines involve mirror …
Exchange interactions in III-V and group-IV diluted magnetic semiconductors
Effective pair exchange interactions between Mn atoms in III-V and group-IV diluted
magnetic semiconductors are determined from a two-step first-principles procedure. In the …
magnetic semiconductors are determined from a two-step first-principles procedure. In the …
Giant anomalous Nernst effect in the Heusler alloy induced by Fermi level tuning and atomic ordering
C o 2 MnAl has been predicted to have Weyl points near the Fermi level in L 2 1-ordered
structure, which is expected to give rise to exotic transverse transport properties such as …
structure, which is expected to give rise to exotic transverse transport properties such as …