The rapid development of wireless communications especially with the coming of 5G, and
artificial intelligence (AI) provides us a wonderful and intelligent life. Nevertheless, it is at the …

Magnetism in two-dimensional (2D) van der Waals (vdW) materials has recently emerged as
one of the most promising areas in condensed matter research, with many exciting emerging …

ABSTRACT ABINIT is probably the first electronic-structure package to have been released
under an open-source license about 20 years ago. It implements density functional theory …

We present TB2J, a Python package for the automatic computation of magnetic interactions,
including exchange and Dzyaloshinskii–Moriya, between atoms of magnetic crystals from …

Atomistic modelling of magnetic materials provides unprecedented detail about the
underlying physical processes that govern their macroscopic properties, and allows the …

The purpose of this book is to provide a theoretical foundation and an understanding of
atomistic spin-dynamics (ASD), and to give examples of where the atomistic Landau-Lifshitz …

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 …

A review of the basic ideas and techniques of the spectral density-functional theory is
presented. This method is currently used for electronic structure calculations of strongly …

This review summarizes recent first-principles investigations of the electronic structure and
magnetism of dilute magnetic semiconductors (DMSs), which are interesting for applications …

Among the diverse and ever-expanding array of approaches to the electronic structure
problem, the rise of approximate density functional theory (DFT) as the method of choice for …