Related papers: Designed Metamagnetism in CoMnGe_{1-x}P_{x}
We investigate the magnetic structure of Mn3-xFexSn2 using neutron powder diffraction experiments and electronic structure calculations. These alloys crystallize in the orthorhombic Ni3Sn2 type of structure (Pnma) and comprise two…
The structural and magnetic study of PrMn1-xFexO3(0 <= x <= 1) substitutional orthorhombical system, was performed on polycrystalline (x <= 0.5) as well as on the single crystalline (0.5 <= x <= 1) samples.
We apply the atom-atom potentials to molecular crystals of iron (II) complexes with bulky organic ligands. The crystals under study are formed by low-spin or high-spin molecules of Fe(phen)$_{2}$(NCS)$_{2}$ (phen = 1,10-phenanthroline),…
Employing a rigorous theoretical method for the construction of exact many-electron ground states we prove that interactions can be employed to tune a bare dispersive band structure such that it develops a flat band. Thereby we show that…
The complex metal oxide Mn3TeO6 exhibits a corundum related structure and has been prepared both in forms of single crystals by chemical transport reactions and of polycrystalline powders by a solid state reaction route. The crystal…
MnTe has recently attracted attention as an altermagnetic candidate. Experimentally it has an altermagnetic order of ferromagnetic $ab$ planes, stacked antiferromagnetically along $c$. We show that this magnetic order (by itself…
The prototypical diluted magnetic semiconductor Cd1-xMnxTe is a spin glass (x<0.6) or an antiferromagnet (x>0.6), but becomes ferromagnetic upon doping with a small amount of Cr atoms substituting for Mn. In order to investigate the origin…
We report the structural and magnetic results of polar {\alpha}-GeTe doped with Sn and Mn from x = 0.185 to 0.841 and y = 0.02 to 0.086, respectively. The magnetic results of Ge1-x-y(SnxMny)Te (GSMT) crystals identify Mn-clustering effect…
By means of self-consistent semi-empirical LCAO calculations we study the itinerant magnetism of (Fe_{0.65}Ni_{0.35})_{1-y} Mn_y alloys for y between 0 and 0.22 at T=0 K, neglecting only the transverse spin components. We find that the…
The resistivity model as a function of temperature and ionization energy (doping) is derived with further confinements from spin-disorder scattering in ferromagnetic phase. Magnetization and polaronic effects capture the mechanism of both…
It has been known that even though two elemental metals, $X$ and $Y$, are immiscible, they can form alloys on surfaces of other metal $Z$. In order to understand such surface alloying of immiscible metals, we study the energetic stability…
Compositionally complex alloys or concentrated solid solutions are the latest frontier in catalyst design, but mixing different elements in one catalyst may result in surface segregation. Atomistic simulations can predict segregation…
The magnetic structures of small clusters of Fe, Mn, and Cr supported on a Cu(111) surface have been studied with non-collinear first principles theory. Different geometries such as triangles, pyramids and wires are considered and the…
The magnetization behaviors of GdMn2Ge2 and TbMn2Ge2 in the bulk and in the fine particles obtained by high-energy ball-milling are compared. Pronounced modificayions in the spontaneous, remnent and high-field magnetization in the fine…
The crystal and magnetic structure of polycrystalline $La{}_{0.5-x}Nd{}_{x}Ca_{0.5}MnO{}_{3}$ (0.0 \ensuremath{\le} x \ensuremath{\le} 0.5) samples have been investigated using magnetization, resistivity, transmission electron microscope,…
We introduce a new aproximation scheme for the periodic Anderson model (PAM). The modified alloy approximation represents an optimum alloy approximation for the strong coupling limit, which can be solved within the CPA-formalism.…
We study energetic, magnetic, and electronic properties of diluted substitutional Mn-pairs on the reconstructed $(001)$ GaAs surfaces. The studies are based on first-principles calculations in the framework of the density functional theory.…
Over the last decade the search for compounds combining the resources of semiconductors and ferromagnets has evolved into an important field of materials science. This endeavour has been fuelled by continual demonstrations of remarkable…
Using first-principles calculations based on density functional theory, we probe the electronic and magnetic properties of X$_{2}$PtGa (X being Cr, Mn, Fe, Co) Heusler alloys. Our calculations predict that all these systems possess inverse…
The results of ac and dc magnetization and heat capacity measurements on the oxides, Ca$_3$Co$_{1+x}$Mn$_{1-x}$O$_6$, forming in a K$_4$CdCl$_6$-derived rhombohedral quasi-one-dimensional crystal structure, are reported. As far as…