相关论文: Ferromagnetism in Mn Substituted Zirconia: A Densi…
Ferroelectricity in binary oxides including hafnia and zirconia have riveted the attention of the scientific community due to highly unconventional physical mechanisms and the potential for integration of these materials into semiconductor…
Zero-field muon spin rotation experiments provide evidence for an antiferromagnetic component in the magnetic structure of the intermetallics ZrZn2.
In this letter, the authors present a study of the energetics and magnetic interactions in Fe doped ZnO clusters by ab-initio density functional calculations. The results indicate that defects under suitable conditions can induce…
Half-metallic fully compensated ferrimagnets (HM-FCFMs), a special class of half-metals exhibiting zero magnetization at absolute zero, are promising candidates for next-generation spintronics applications. For over 25 years, theoretical…
We report a surfactant assisted synthesis of Mn doped ZnO polycrystalline samples showing robust room temperature ferromagnetism as characterized by X-ray diffraction analysis, Transmission Electron Microscopy, Electron Paramagnetic…
Double perovskites like Sr$_2$FeMoO$_6$ are materials with half-metallic ground states and ferrimagnetic T$_{\rm{c}}$'s well above room temperature. This paper is the second of our comprehensive theory for half metallic double perovskites.…
The magnetic and thermodynamic properties of spin-1/2 Heisenberg diamond chains are investigated in three different cases: (a) J1, J2, J3>0 (frustrated); (b) J1, J3<0, J2>0 (frustrated); and (c) J1, J2>0, J3<0 (non-frustrated). The density…
We investigated the magnetic properties of (La$_{1-x}$Ba$_{x}$)(Zn$_{1-x}$Mn$_{x}$)AsO with $x$ varying from 0.005 to 0.05 at an external magnetic field of 1000 Oe. For doping levels of $x$ $\leq$ 0.01, the system remains paramagnetic down…
Some doped semiconductors have recently been shown to display superconductivity or weak ferromagnetism. Here we investigate the electronic structure and conditions for magnetism in a supercells of cubic XW_{26}O_{81}, where X=Nb,V and Re.…
Using {\it ab initio} total energy density-functional theory calculations, we investigate the electronic, structural and magnetic properties of Manganese doped Germanium nanowires. The nanowires have been constructed along the [110]…
The role of doping Fe on the structural, magnetic and dielectric properties of frustrated antiferromagnet YMn1-xFexO3 (x less than or equal to 0.5) has been investigated. The neutron diffraction analysis shows that the structure of these…
By means of density-functional simulations for half-doped manganites, such as pseudocubic Pr0.5Ca0.5MnO3 and bilayer PrCa2Mn2O7, we discuss the occurrence of ferroelectricity and we explore its crucial relation to the crystal structure and…
We synthesized pure and Co-doped (6.25 12.5 at.) ZrO$_2$ nanopowders in order to study their magnetic properties.We analyzed magnetic behavior as a function of the amount of Co and the oxygenation, which was controlled by low pressure…
This study investigates the novelty of the crystalline and electronic structure of (Mg,Ti)-doped ZnO and the co-doped Zn1-x-yMgxTiyO structures using Gaussian and plane-wave basis sets, as implemented in the CP2K code. The goal of…
The current status of research on the carrier-mediated ferromagnetism in tetrahedrally coordinated semiconductors is briefly reviewed. The experimental results for III-V semiconductors, where Mn atoms introduce both spins and holes, are…
Neutron diffraction and magnetic susceptibility studies show that orthorhombic single-crystals of topological semimetals ${\rm Sr(Mn_{0.9}Cu_{0.1})Sb_2}$ and ${\rm Sr(Mn_{0.9}Zn_{0.1})Sb_2}$ undergo three dimensional C-type…
Structural and magnetic properties of the doped terbium manganites (Tb,A)MnO3 (A = Gd, Dy and Ho) have been investigated using first-principles calculations and further confirmed by subse- quent experimental studies. Both computational and…
The spin-dependent electronic structures of aluminum-(Al) doped zigzag silicene nanoribbons (ZSiNRs) are investigated by first-principles calculations. When ZSiNRs are substitutionally doped by a single Al atom on different sites in every…
In this paper we review the latest achievements of density functional theory in understanding the physics of diluted magnetic semiconductors. We focus on transition metal doped III-V semiconductors, which show spontaneous ferromagnetic…
Using the low-energy effective field theory for magnons and holes -- the condensed matter analog of baryon chiral perturbation theory for pions and nucleons in QCD -- we study different phases of doped antiferromagnets. We systematically…