Related papers: Predicting the Curie temperature of ferromagnets u…
A concept is presented serving to guide in the search for new materials with high spin polarization. It is shown that the magnetic moment of half-metallic ferromagnets can be calculated from the generalized Slater-Pauling rule. Further, it…
Ferromagnetism with high Curie temperature $T_c$, well above room temperature, and very small saturation moment has been reported in various carbon and boron systems. It is argued that the magnetization must be very inhomogeneous with only…
EuC$_2$ is a ferromagnet with a Curie-temperature of $T_C \simeq 15\,$K. It is semiconducting with the particularity that the resistivity drops by about 5 orders of magnitude on cooling through $T_C$, which is therefore called a…
We present a semi-analytic theory for the Curie temperature in diluted magnetic semi-conductors that treats disorder effects exactly in the effective Heisenberg Hamiltonian, and spin fluctuations within a local RPA. The exchange couplings…
The structure and magnetic properties of nanocrystalline PrCo$_3$ obtained from high energy milling technique are investigated by X-ray diffraction, Curie temperature determination and magnetic properties measurements are reported. The…
Magnetic two-dimensional materials have potential application in next-generation electronic devices and have stimulated extensive interest in condensed matter physics and material fields. However, how to realize high-temperature…
We propose a ferromagnetic/ferroelectric hybrid double quantum well structure, and present an investigation of the Curie temperature (Tc) modulation in this quantum structure. The combined effects of applied electric fields and spontaneous…
An accurate prediction of atomic diffusion in Fe alloys is challenging due to thermal magnetic excitations and magnetic transitions. We propose an effcient approach to address these properties via Monte Carlo simulation, using ab-initio…
Theoretical prediction of the 2nd-order magnetic transition temperature (TM) used to be arduous. Here, we develop a first principle-based, fully automatic structure-to-TM method for two-dimensional (2D) magnets whose effective Hamiltonians…
The infinite-dimensional Hubbard model is studied by means of a modified perturbation theory. The approach reduces to the iterative perturbation theory for weak coupling. It is exact in the atomic limit and correctly reproduces the…
Accurately predicting magnetic behavior across diverse materials systems remains a longstanding challenge due to the complex interplay of structural and electronic factors and is pivotal for the accelerated discovery and design of…
We employ a descriptor based machine-learning approach to assess the effect of chemical alloying on formation-enthalpy of rare-earth intermetallics. Application of machine-learning approaches in rare-earth intermetallic design have been…
Recent advancements in spintronics and fundamental physical research have brought increased attention to the rare-earth-based magnetically ordered materials. One of the important properties of these materials is the temperature dependence…
The electronic structure of the ferromagnetic material CeRh$_{3}$B$_{2}$ is studied by means of first-principles calculations with an emphasis on the treatment of localized $4f$ states around Ce. Via the construction of an effective spin…
High-temperature alloy design requires a concurrent consideration of multiple mechanisms at different length scales. We propose a workflow that couples highly relevant physics into machine learning (ML) to predict properties of complex…
The magnetic properties of the $Fe_{1-x}Ru_x$ alloy system for 0 $\leq$ x $\leq$ 0.10 are studied by using a mean-field approximation based on the Bogoliubov inequality. Ferromagnetic Fe-Fe spin correlations and antiferromagnetic Fe-Ru and…
Superconductors, which are crucial for modern advanced technologies due to their zero-resistance properties, are limited by low Tc and the difficulty of accurate prediction. This article made the initial endeavor to apply machine learning…
We study the interatomic exchange interactions and Curie temperatures in half-metallic semi Heusler compounds NiCrZ (Z=P, Se, Te) and NiVAs. The study is performed within the framework of density functional theory. The calculation of…
The local atomic environments and magnetic properties were investigated for a series of Co(1+x)Fe(2-x)Si (0<x<1) Heusler compounds. While the total magnetic moment in these compounds increases with the number of valance electrons, the…
The finite-temperature magnetic properties of Fe$_x$Pd$_{1-x}$ and Co$_x$Pt$_{1-x}$ alloys have been investigated. It is shown that the temperature-dependent magnetic behaviour of alloys, composed of originally magnetic and non-magnetic…