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Combining density-functional theory calculations with many-body Greens-function technique, we reveal that the macroscopic magnetization in half-metallic antiferromagnets does not vanish at finite temperature as for the T=0 limit. This anomalous behavior stems from the inequivalent magnetic sublattices which lead to different intrasublattice exchange interactions. As a consequence, the spin fluctuations suppress the magnetic order of the sublattices in a different way leading to a ferrimagnetic state at finite temperatures. Computational results are presented for the half-metallic antiferromagnetic CrMnZ (Z=P,As,Sb) semi-Heusler compounds.
We report on optically induced, ultrafast magnetization dynamics in the Heusler alloy $mathrm{Co_{2}FeAl}$, probed by time-resolved magneto-optical Kerr effect. Experimental results are compared to results from electronic structure theory and atomist
We analyse the effects of doping Holmium impurities into the full-Heusler ferromagnetic alloy Co$_2$MnSi. Experimental results, as well as theoretical calculations within Density Functional Theory in the Local Density Approximation plus Hubbard U fra
We study the laser-induced torques in the antiferromagnet (AFM) Mn$_2$Au. We find that even linearly polarized light may induce laser-induced torques in Mn$_2$Au, i.e., the light does not have to be circularly polarized. The laser-induced torques in
Crystal structure prediction is a central problem of theoretical crystallography and materials science, which until mid-2000s was considered intractable. Several methods, based on either energy landscape exploration$^{1,2}$ or, more commonly, global
We revise critically existing approaches to evaluation of thermodynamic potentials within the Greens function calculations at finite electronic temperatures. We focus on the entropy and show that usual technical problems related to the multivalued na