Related papers: High throughput computational screening for two-di…
The emergence of ferro- and ferrimagnetic behavior in insulating materials is uncommon, largely due to Hund's rules. Utilizing symmetry analysis, first-principles methods, and classical Monte Carlo simulations, \textcolor{black}{we report…
We report here the completion of the electronic structure of the majority of the known stoichiometric inorganic compounds, as listed in the International Crystal Structure Data-base (ICSD). We make a detailed comparison of the electronic…
Novel technologies and new materials are in high demand for future energy-efficient electronic devices to overcome the fundamental limitations of miniaturization of current silicon-based devices. Two-dimensional (2D) materials show…
We present a data set of calculated Curie temperatures for the main-phase compounds of rare-earth permanent magnets. We employ ab initio electronic structure calculations for the itinerant ferromagnetism and an effective spin model for the…
The majority of magnetic materials possess some degree of magnetic anisotropy, either at the level of a single ion, or in the exchange interactions between different magnetic ions. Where these exchange interactions are also frustrated, the…
Topologically protected magnon surface states are highly desirable as an ideal platform to engineer low-dissipation spintronics devices. However, theoretical prediction of topological magnons in strongly correlated materials proves to be…
Two-dimensional (2D) magnets host a wide range of exotic magnetic textures, whose low-energy excitations and finite-temperature properties are typically described by effective spin models based on Heisenberg-like Hamiltonians. A key…
The observation of ferromagnetic order in a monolayer of CrI$_3$ has been recently reported, with a Curie temperature of 45 Kelvin and off-plane easy axis. Here we study the origin of magnetic anisotropy, a necessary ingredient to have…
We perform extensive density functional theory (DFT) calculations to determine the stability and elementary properties of 4249 previously unexplored monolayer crystals. The monolayers comprise the most stable subset (energy within 0.1…
The corrections to the Curie temperature T_c of a ferromagnetic film consisting of N layers are calculated for N \gg 1 for the model of D-component classical spin vectors in the limit D \to \infty, which is exactly soluble and close to the…
Atomically thin two dimensional magnets have given rise to emergent phenomena due to magnetic exchange and spin-orbit coupling showing a great promise for realizing ultrathin device structures. In this paper, we critically examine the…
Achieving robust room-temperature ferromagnetism in purely organic 2D crystals remains a fundamental challenge, primarily due to antiferromagnetic (AFM) coupling mediated by {\pi}-electron superexchange. Here, we present a mix-topology…
Magnetic properties of fcc structured ferromagnetic films with the number of spin layers up to seventy was described using third order perturbed Heisenberg Hamiltonian. The variation of magnetic easy direction, magnetic energies in easy and…
Recent realizations of intrinsic magnetic order in truly two-dimensional materials have opened new avenues in the fundamental knowledge and spintronic applications. Here we develop an anisotropic Heisenberg model with relativistic exchange…
Organic-inorganic multiferroics are promising for the next generation of electronic devices. To date, dozens of organic-inorganic multiferroics have been reported; however, most of them show magnetic Curie temperature much lower than room…
This work reports the synthesis, structure and magnetic properties of the single crystal of a facile spin 1/2 one dimensional Heisenberg antiferromagnet bis(4-aminopyridinium) bis(oxalato)cuprate(II) dihydrate, (C 5 H 7 N 2 ) 2 [Cu(C 2 O 4…
Magnetic materials often exhibit complex energy landscapes with multiple local minima, each corresponding to a self-consistent electronic structure solution. Finding the global minimum is challenging, and heuristic methods are not always…
Magnetic anisotropy is a crucial characteristic for enhancing spintronic device performance. The synthesis of SmCrGe$_3$ single crystals through a high-temperature solution method has led to the determination of uniaxial magnetocrystalline…
This paper describes the open Novamag database that has been developed for the design of novel Rare-Earth free/lean permanent magnets. The database software technologies, its friendly graphical user interface, advanced search tools and…
We demonstrate that we can determine the antiferromagnetic anisotropies and the bulk Dzyaloshinskii-Moriya fields of the insulating iron oxide hematite, {\alpha}-Fe2O3, using a surface sensitive spin-Hall magnetoresistance (SMR) technique.…