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Nanomagnets with giant magnetic anisotropy energy and long coherence time are desired for various technological innovations such as quantum information procession and storage. Based on the first-principles calculations and model analyses, we demonstrate that a single uranium atom substituting Al on the Al2O3(0001) surface may have high structural stability and large magnetic anisotropy energy up to 48 meV per uranium atom. As the magnetization resides in the localized f-shell and is not much involved in chemical bonding with neighbors, long coherence time up to ~1.6 mS can be achieved for the quantum spin states. These results suggest a new strategy for the search of ultrasmall magnetic units for diverse applications in the quantum information era.
One of the key challenges to realize controlled fusion energy is tritium self-sufficiency. The application of hydrogen permeation barrier (HPB) is considered to be necessary for tritium self-sufficiency. {alpha}-Al2O3 is currently a candidate materia
Thermoelectric effects in magnetic nanostructures and the so-called spin caloritronics are attracting much interest. Indeed it provides a new way to control and manipulate spin currents which are key elements of spin-based electronics. Here we report
Using a first-principles fully relativistic scheme based on ultrasoft pseudopotentials and density functional perturbation theory, we study the magnetocrystalline anisotropy free energy of the ferromagnetic binary compound MnBi. We find that differen
In 5d transition metal oxides, novel properties arise from the interplay of electron correlations and spin--orbit interactions. Na4IrO4, where 5d transition-metal Ir atom occupies the center of the square-planar coordination environment, is synthesiz
The integration of ferromagnetic and ferroelectric materials into hybrid heterostructures yields multifunctional systems with improved or novel functionality. We here report on the structural, electronic and magnetic properties of the ferromagnetic d