相关论文: Magnetism in Transition metal doped Cubic SiC
The structural and magnetic properties of transition metal-doped Mn$_3$SnC are studied with an aim to understand the effect of transition metal atom on magnetostructural properties of the antiperovskite compound. The doped…
The electronic and magnetic properties of transition-metal doped $\beta$-Ge3N4 have been studied using first-principles calculations. The results show that the substitutional transition-metal impurities tend to cluster. The V and Cr doped…
We theoretically investigate the possibility of establishing ferromagnetism in the topological insulator Bi2Se3 via magnetic doping of 3d transition metal elements. The formation energies, charge states, band structures, and magnetic…
Preliminary results on the properties of transition-metal (Ti, V, Cr, Mn, Fe, Co, Ni) $\delta$-doped ZnO are reported. Using \emph{ab-initio} electronic structure calculations the magnetic order is studied assuming both the cubic rock-salt…
This work presents results for the magnetic properties of the compound GeTe doped with 3d transition metals V, Cr and Mn from the viewpoint of potential application in spintronics. We report a systematic density-functional study of the…
We present first-principles density-functional calculations for the structural, electronic, and magnetic properties of substitutional 3d transition metal (TM) impurities in two-dimensional black and blue phosphorenes. We find that the…
In the past decade, room temperature ferromagnetism was often observed in transition metal doped semiconductors, which were claimed as diluted magnetic semiconductors (DMS). Nowadays intensive activities are devoted to clarify wether the…
The electronic and magnetic properties of neutral substitutional transition-metal dopants in dia- mond are calculated within density functional theory using the generalized gradient approximation to the exchange-correlation potential. Ti…
We present a comprehensive study of the energetics and magnetic properties of ZnO clusters doped with 3d transition metals (TM) using ab initio density functional calculations in the framework of generalized gradient approximation + Hubbard…
The defect induced magnetism has initiated a lot of interest in field of spintronics. In this regard, SiC is a promising material because of its unique properties under extreme conditions. Hence it will be very much interesting to…
Magnetic interaction with the gapless surface states in topological insulator (TI) has been predicted to give rise to a few exotic quantum phenomena. However, the effective magnetic doping of TI is still challenging in experiment. Using…
We calculate the nature of magnetic interactions in transition-metal doped ZnO using the local spin density approximation and LSDA+\textit{U} method of density functional theory. We investigate the following four cases: (i) single…
The possibility of half-metallic antiferromagnetism, a special case of ferrimagnetism with a compensated magnetization, in the diluted magnetic semiconductors is highlighted on the basis of the first principles electronic structure…
Using the first-principles density-functional theory plan-wave pseudopotential method, we investigate the structure and magnetism in 25% Mn substitutive and interstitial doped monoclinic, tetragonal and cubic ZrO2 systematically. Our…
We present a comprehensive structural characterization of ferromagnetic SiC single crystals induced by Ne ion irradiation. The ferromagnetism has been confirmed by electron spin resonance and possible transition metal impurities can be…
Two-dimensional (2D) materials with robust magnetism have drawn immense attention for their promising applications in spintronics. Recently, intrinsic ferromagnetic vanadium triiodide (VI3) has been synthesized experimentally. To enhance…
The nature of low-impurity ferromagnetism remains a challenging problem in the solid-state community. Despite initial experiments dating back to the mid-20th century, a comprehensive theoretical explanation and reliable ab initio…
We study the electron transport in a magnetically doped three dimensional topological insulator (TI) by taking the effects of impurity-impurity exchange interactions into account. The interactions between magnetic impurities give rise to…
The revealing properties of transition metal (T)-doped graphene systems are investigated with the use of the first-principles method. The detailed calculations cover the bond length, position and height of adatoms, binding energy,…
We show that the $d^{0}$ ferromagnetism with high Curie temperature ($T_c$) can be achieved in the electron doped hydrogenated epitaxial graphene on some certain SiC substrates through first-principles calculations. The pristine systems are…