相关论文: Contrasting Ferromagnetism in Pyrite FeS$_2$ Induc…
Single crystal neutron diffraction is used to investigate the magnetic and structural phase diagram of the electron doped superconductor Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$. Heat capacity and resistivity measurements have demonstrated that Co…
Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties…
Dilute magnetic semiconductors (DMS) are nonmagnetic semiconductors doped with magnetic transition metals. The recently discovered DMS material (Ba$_{1-x}$K$_{x}$)(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$ offers a unique and versatile control of…
It is argued that the formation of the non-magnetic state of FeS in external pressures above 6.5 GPa is in agreement with the prediction of the quantum atomistic solid-state theory, an extension of the crystal-field theory with the…
Single crystals of Ca(Fe1-xRux)2As2 (0<x<0.065) and Ca1-yLay(Fe0.973Ru0.027)2As2 (0<y<0.2) have been synthesized and studied with respect to their structural, electronic and magnetic properties. The partial substitution of Fe by Ru induces…
Guided by the internal-reference rule and the known band offsets in III-V and II-VI diluted magnetic semiconductors, we discuss the feasibility of obtaining p-type conductivity, required for the carrier-induced ferromagnetism, as well as…
We systematically investigate the electronic structures of pristine monolayer WSe$_2$ and WSe$_2$ superlattices with periodic nitrogen substitution. Unlike random doping, which often introduces in-gap impurity states, periodic nitrogen…
The electrical, magnetic, thermal and optical characteristics of Gallium (Ga) doped silicene are investigated using density functional theory (DFT). The effect of doping is studied by tuning dopant concentrations as well as examining varied…
We have investigated the fluorine-doping dependence of lattice constants, transports and specific heat for polycrystalline LaFePO1-xFx. F doping slightly and monotonically decreases the in-plane lattice parameter. In the normal state,…
Cr$_2$B displays temperature independent paramagnetism. We induce ferromagnetism by replacing less than $3\,\%$ of the Cr atoms by Fe. By the lowest Fe doping level made, Curie-Weiss behavior is observed; $\Theta_{CW}$ changes from $-20\,$K…
Domain wall morphologies in ferroelectrics are believed to be largely shaped by electrostatic forces. Here, we show that for conducting domain walls, the morphology also depends on the details of the charge-carrier band structure. For…
A comprehensive study on the evolution of Stoner factor with doping concentration for various doped 122 systems (like BaFe$_2$As$_2$, SrFe$_2$As$_2$) of Fe-based superconductors is presented. Our first principles electronic structure…
Diluted magnetic semiconductors possessing intrinsic static magnetism at high temperatures represent a promising class of multifunctional materials with high application potential in spintronics and magneto-optics. In the hexagonal Fe-doped…
Paraelectrical tuning of a charge carrier density as high as 10$^{13}$\,cm$^{-2}$ in the presence of a high electronic carrier mobility on the delicate surfaces of correlated oxides, is a key to the technological breakthrough of a field…
We show that doped cubic iron pyrite, which is a diamagnetic semiconductor, becomes ferromagnetic when $p$-type doped. We furthermore find that this material can exhibit high spin polarization both for tunneling and transport devices. These…
Ferromagnetic semiconductors promise the extension of metal-based spintronics into a material system that combines widely tunable electronic, optical, and magnetic properties. Here, we take steps towards realizing that promise by achieving…
We study the effects of electrostatic gating on the lateral distribution of charge carriers in two dimensional devices, in a non-linear dielectric environment. We compute the charge distribution using the Thomas-Fermi approximation to model…
Motivated by the search for design principles of rare-earth-free strong magnets, we present a study of electronic structure and magnetic properties of the ferromagnetic metal Fe3GeTe2 within local density approximation (LDA) of the density…
We performed a systematic study on the properties of CeFeAs$_{1-x}$P$_{x}$O ($0\leq x\leq 1$) by electrical resistivity, magnetization and specific heat measurements. The c-axis lattice constant decreases significantly with increasing P…
A new doping mechanism is described, whereby a doping impurity does not simply transfer charge to the bands of a host semiconductor or semimetal, but rearranges the core energy levels deep in the valence band of the host. This, in turn,…