相关论文: High throughput computational screening for two-di…
Two-dimensional materials have been gaining great attention as they displayed a broad series of electronic properties that ranging from superconductivity to topology. Among them, those which possess magnetism are most desirable, enabling us…
We introduce the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around 1500 two-dimensional materials distributed over more than…
Measurements of the magnetic susceptibility of Fe/W(110) films with thickness in the range of 1.6 to 2.4 ML Fe, show that in addition to the large response along the easy axis associated with the Curie transition, there is a much smaller,…
Heusler alloys have attracted interest in various fields of functional materials since their properties can quite easily be tuned by composition. Here, we have investigated the relatively new class of all-3d Heusler alloys in view of its…
Van der Waals material Fe$_5$GeTe$_2$, with its long-range ferromagnetic ordering near room temperature, has significant potential to become an enabling platform for implementing novel spintronic and quantum devices. To pave the way for…
Magnets with controllable magnetization and high critical temperature are essential for practical spintronics devices, among which the two-dimensional 1T-CrTe2 stands out because of its high experimental critical temperature up to about…
The coexistence of high-temperature intrinsic ferromagnetic ordering, large magnetic anisotropy, along with novel mechanical properties such as ferroelasticity and flexibility, in experimental feasible two-dimensional (2D) crystals is…
We report a detailed investigation of the magnetic order in 192 stable magnetic two-dimensional materials from the Computational 2D Materials Database having one magnetic atom in the unit cell. The calculations are based on a systematic…
We present a computational screening of experimental structural repositories for fast Li-ion conductors, with the goal of finding new candidate materials for application as solid-state electrolytes in next-generation batteries. We start…
An exciting development over the past few decades has been the use of high-throughput computational screening as a means of identifying promising candidate materials for a variety of structural or functional properties. Experimentally, it…
The Pair Approximation method is applied to studies of the bilayer and multilayer magnetic systems with simple cubic structure. The method allows to take into account quantum effects related with non-Ising couplings. The paper adopts the…
We perform magnetotransport experiments on VI$_3$ multilayers, to investigate the relation between ferromagnetism in bulk and in exfoliated layers. The magnetoconductance measured on field-effect transistors and tunnel barriers shows that…
A thorough in situ characterization of materials at extreme conditions is challenging, and computational tools such as crystal structural search methods in combination with ab initio calculations are widely used to guide experiments by…
We use a combination of symmetry analysis and high-throughput density functional theory calculations to search for new ferroelectric materials. We use two search strategies to identify candidate materials. In the first strategy, we start…
We analyze the occurrence of in-plane anisotropy in the electronic, magnetic, elastic and transport properties of more than one thousand 2D materials from the C2DB database. We identify hundreds of anisotropic materials and classify them…
The realization of long-range magnetic ordering in two-dimensional (2D) systems can potentially revolutionize next-generation information technology. Here, we report the successful fabrication of crystalline Cr3Te4 monolayers with room…
The temperature dependent order parameter provides important information on the nature of magnetism. Using traditional methods to study this parameter in two-dimensional (2D) magnets remains difficult, however, particularly for insulating…
Pursuing two-dimensional (2D) intrinsic ferromagnetism with high Curie temperature and great mechanical flexibility has attracted great interest in flexible spintronics. In the present work, we carried out a density functional theory (DFT)…
We present a model study of ferromagnetic films consisting of free Bloch electrons coupled to localized moments (Kondo lattice films). By mapping the local interaction onto an effective Heisenberg Hamiltonian we obtain temperature and…
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…