相关论文: Quantum-confined charge transfer that enhances mag…
By performing density functional calculations, we find a giant magnetocrystalline anisotropy (MCA) constant in abundant element cerium (Ce) substituted M-type hexaferrite, in the energetically favorable strontium site, assisted by a quantum…
We use first-principles total-energy calculations based on density functional theory to study the site occupancy and magnetic properties of Al-substituted $M$-type strontium hexaferrite SrFe$_{12-x}$Al$_{x}$O$_{19}$ with $x=0.5$ and…
This work reports experimental evidence of random magnetic behavior observed in modified barium hexagonal ferrites. We observe a significant transition in the magnetic properties of this system when divalent cations (Ni2+, Cu2+, Mn2+) are…
The anisotropy of the Fe-based superconductors is much smaller than that of the cuprates and the theoretical calculations. A credible understanding for this experimental fact is still lacking up to now. Here we experimentally study the…
We investigate the effect of Mn substitution in Fe$_2$Ti$_{1-x}$Mn$_x$Sn on electronic structure and magnetic and electrical transport properties. The spin-polarized density of states calculations using density-functional theory (DFT)…
The binary manganese aluminium (MnAl) alloy with L$1_0$ crystal structure is a promising rare earth element-free permanent magnetic material because of its exceptional magnetic properties. However, experimentally synthesizing it in a stable…
Magnetic cooling has the potential to replace conventional gas compression refrigeration. Materials such as La(Fe,Si)$_{13}$ exhibit a sizeable first-order magnetocaloric effect, and it is possible to tailor the phase transition towards…
The magnetic properties of Fe$_2$Ta and Fe$_2$W in the hexagonal Laves phase are computed using density functional theory in the generalised gradient approximation, with the full potential linearised augmented plane wave method. The alloy…
Electronic and magnetic properties of the heavily H-doped LaFeAsO$_{1-x}$H$_x$ $(x\sim0.5 )$ were studied in the framework of the density functional theory combined with the dynamical mean field theory (DFT+DMFT). We found a…
Transtor and memtranstor are the fourth basic linear and memory elements, which allows direct coupling of charge (q) to magnetic flux ({\phi}) via linear and non-linear ME effects, respectively. It is found here that large variation of…
To understand the effect of molecular environment on the electronic and magnetic properties of the single-molecule magnet (SMM) Mn$_{12}$, we explore two possible means for adding extra electrons to molecule. We explore both substitution of…
Large magnetic anisotropy and coercivity are key properties of functional magnetic materials and are generally associated with rare earth elements. Here we show an extreme, uniaxial magnetic anisotropy and the emergence of magnetic…
We theoretically analyze the influence of chemical disorder on magnetic anisotropy in Ge_{1-x}Mn_{x}Te semiconductor layers known to exhibit carrier-induced ferromagnetism and ferroelectric distortion of rhombohedral crystal lattice. Using…
On the basis of a first-principles, relativistic electronic structure theory of finite temperature metallic magnetism, we investigate the variation of magnetic anisotropy, K, with magnetisation, M, in metallic ferromagnets. We apply the…
Kagome-lattice magnets $R$Mn$_6$Sn$_6$ recently emerged as a new platform to exploit the interplay between magnetism and topological electronic states. Some of the most exciting features of this family are the dramatic dependence of the…
Structures and magnetic properties of Fe16-xCoxN2 are studied using adaptive genetic algorithm and first-principles calculations. We show that substituting Fe by Co in Fe16N2 with Co/Fe ratio smaller than 1 can greatly improve the magnetic…
Materials based on the Sm-Co system exhibit remarkable magnetic performance due to their high Curie temperature, large saturation magnetization, and strong magnetic anisotropy, which are the result of the electronic structure in Co and Sm…
The large saturation magnetization in conventional dense moment ferromagnets offers flexible means of manipulating the ordered state through demagnetizing shape anisotropy fields but these dipolar fields, in turn, limit the integrability of…
The $LnMn_{6}Sn_{6}$ family of materials, where $Ln^{3+}$ is a lanthanide trivalent cation, have attracted extensive interest due to the interplay of electronic structure, magnetism, and topology present in this family that gives rise to…
Single magnetic atoms or molecules with large single-ion magnetic anisotropy are highly desired for future applications in high-density data storage and quantum computation. Here we have synthesized an Fe-porphyrin complex on Au(111)…