相关论文: Ferromagnetism in Mn Substituted Zirconia: A Densi…

The doping effect of Sr and transition metals Mn, Fe, Co into the direct-gap semiconductor LaZnAsO has been investigated. Our results indicate that the single phase ZrCuSiAs-type tetragonal crystal structure is preserved in…

The electronic structure and intrinsic magnetic properties of $\text{Fe}_2\text{AlB}_2$-related compounds and their alloys have been investigated using density functional theory. For $\text{Fe}_2\text{AlB}_2$, the crystallographic $a$ axis…

The development of ferromagnetism in Mn-doped Bi2Te3 is characterized through measurements on a series of single crystals with different Mn content. Scanning tunneling microscopy analysis shows that the Mn substitutes on the Bi sites,…

The magnetic coupling between doped Mn atoms in clusters as well as crystals of GaN has been studied from first principles using molecular orbital theory for clusters and linearized muffin tin orbitals-tight binding formulation (LMTO-TB)…

We investigate the electronic and magnetic properties of (Ga,Mn)N nanocrystals using the density functional theory. We study both wurtzite and zinc-blende structures doped with one or two substitutional Mn impurities. For a single Mn dopant…

The magnetic properties of zig-zag graphene nanoflakes (ZGNF) are investigated within the framework of the dynamical mean-field theory. At half-filling and for realistic values of the local interaction, the ZGNF is in a fully compensated…

First-principles density functional theory (DFT) is used to investigate the electronic and magnetic properties of Sr$_4$Rh$_3$O$_{10}$, a member of the Ruddlesden-Popper series. Based on the DFT calculations taking into account the…

As the dielectric film thickness shrinks to ~10 nm, some traditional wurtzite piezoelectric materials demonstrate ferroelectricity through element doping. Among them, Sc doped AlN and Mg doped ZnO are the most famous examples. While it is…

We investigate the possibility of controlling the magnetic phase transition of the heterointerface between a half-doped manganite La$_{0.5}$Ca$_{0.5}$MnO$_{3}$ and a multiferroic BiFeO$_{3}$ through magnetoelectric coupling. Using…

A density functional theory of ferromagnetism in heterostructures of compound semiconductors doped with magnetic impurities is presented. The variable functions in the density functional theory are the charge and spin densities of the…

A ternary ferrimagnetic half-metal, constructed through substituting 25% Fe for Mn in zincblende semiconductor MnTe, is predicted in terms of accurate first-principles calculations. It has a large half-metallic (HM) gap of 0.54eV and its…

We report results of a Monte Carlo study of doped, diluted magnetic semiconductors in the low carrier density (insulating) regime. We find that the system undergoes a transition from a paramagnet at high temperatures to a ferromagnet at low…

The magnetic properties of the two-channel periodic Anderson model for uranium ions, comprised of a quadrupolar and a magnetic doublet are investigated through the crossover from the mixed-valent to the stable moment regime using dynamical…

Next-generation spintronic devices will benefit from low-dimensionality, ferromagnetism, and half-metallicity, possibly controlled by electric fields. We find these technologically-appealing features to be combined with an exotic…

Here we report the successful synthesis of a spin- & charge-decoupled diluted magnetic semiconductor (Ca,Na)(Zn,Mn)2As2, crystallizing into the hexagonal CaAl2Si2 structure. The compound shows a ferromagnetic transition with a Curie…

Electronic structure calculations from first-principles are employed to design some new half-metallic fully-compensated ferrimagnets (or as they are widely known half-metallic antiferromagnets) susceptible of finding applications in…

Using first principles calculations as based on density functional theory, we propose a class of so far unexplored diluted ferromagnetic semiconductors and half-metals. Here, we study the electronic properties of recently synthesized $ 4d $…

Single crystals of electron-doped SrMnO3 with a cubic perovskite structure have been systematically investigated as the most canonical (orbital-degenerate) double-exchange system, whose ground states have been still theoretically…

Motivated by the recent experimental observation of long range ferromagnetic order at a relatively high temperature of 200K in the Fe-doped ZnGa$_2$O$_4$ semiconducting spinel, we propose a possible mechanism for the observed ferromagnetism…

The half-metallic half-Heusler alloy NiMnSb is a promising candidate for applications in spintronic devices due to its low magnetic damping and its rich anisotropies. Here we use ferromagnetic resonance (FMR) measurements and calculations…