Related papers: Novel magneto-electric multiferroics from first-pr…
A introduction into density-functional theory and electronic structure methods is given, that aims at providing an intuitive understanding of the underlying concepts for the novice as well as an entry point towards the more advanced…
Electron dispersion forces play a crucial role in determining the structure and properties of biomolecules, molecular crystals and many other systems. However, an accurate description of dispersion is highly challenging, with the most…
Magnetic fields appear wherever plasma and currents can be found. As such, they thread through all scales in Nature. It is natural, therefore, to suppose that magnetic fields might have been formed within the high temperature environments…
We present a new first-principle theory for the calculation of the macroscopic second-order susceptibility chi^(2), based on the Time-Dependent Density-Functional Theory approach. Our method allows to include straightforwardly the many-body…
Exploiting both spin and charge of the electron in electronic micordevices has lead to a tremendous progress in both basic condensed-matter research and microelectronic applications, resulting in the modern field of spintronics. Current…
The coexistence and coupling between magnetization and electric polarization in multiferroic materials provide extra degrees of freedom for creating next-generation memory devices. A variety of concepts of multiferroic or magnetoelectric…
In this Chapter we provide an overview of the current first-principles perspective on flexoelectric effects in crystalline solids. We base our theoretical formalism on the long-wave expansion of the electrical response of a crystal to an…
The multicaloric effect, which represents the reversible entropy change that occurs when both external magnetic and electric fields are applied, is an interesting phenomenon characteristic to multiferroics. Targeting the multicaloric effect…
Spintronics, since its inception, has mainly focused on ferromagnetic materials for manipulating the spin degree of freedom in addition to the charge degree of freedom, whereas much less attention has been paid to antiferromagnetic…
In this paper we review the latest achievements of density functional theory in understanding the physics of diluted magnetic semiconductors. We focus on transition metal doped III-V semiconductors, which show spontaneous ferromagnetic…
We uncover a new pathway towards multiferroicity, showing how magnetism can drive ferroelectricity without relying on inversion symmetry breaking of the magnetic ordering. Our free-energy analysis demonstrates that any commensurate…
Using first principles calculations, we present a magnetostructural effect in the BiFeO3-BiMnO3 nanocheckerboard that is not found in either bulk parent compound or in BiFeO3-BiMnO3 superlattices. We also demonstrate that the atomic-scale…
The phenomenological theory of ferroelectricity in spiral magnets presented in [M. Mostovoy, Phys. Rev. Lett. 96, 067601 (2006)] is generalized to describe consistently states with both uniform and modulated-in-space ferroelectric…
Multiferroics are materials with coexisting electric and magnetic orders that are of central importance for fundamental research and technological applications. Unfortunately, intrinsic multiferroics that operate at room temperature remain…
We present a theoretical examination of the magneto-electric response in the recently discovered multiferroic insulator Cu$_2$OSeO$_3$. Combining Monte Carlo simulation and Ginzburg-Landau analysis we predict the response in each of the…
We present a general approach for the construction of the exact local-energy-density functionals for a uniform N-dimensional electronic system in a magnetic field. For arbitrary dimension, we obtain explicit expressions for the matter,…
Emerging ferroic materials may pave a new way to next-generation nanoelectronic and spintronic devices due to their interesting physical properties. Here, we systematically review unconventional ferroelectric systems, from Hf-based and…
With the growth of computational resources, the scope of electronic structure simulations has increased greatly. Artificial intelligence and robust data analysis hold the promise to accelerate large-scale simulations and their analysis to…
The following three sections and appendices are taken from my thesis "The Foundations of Inference and its Application to Fundamental Physics" from 2021, in which I construct a theory of entropic inference from first principles. The…
The interpretation of data in terms of multi-parameter models of new physics, using the Bayesian approach, requires the construction of multi-parameter priors. We propose a construction that uses elements of Bayesian reference analysis. Our…