相关论文: Site preference of dopant elements in Nd2Fe14B

We study magnetic properties of NdFe$_{11}$Ti$X$, where $X$=B, C, N, O, and F, by using the first-principles calculation based on the density functional theory. Its parent compound NdFe$_{11}$Ti has the ThMn$_{12}$ structure, which has the…

Electronic structures, exchange interaction mechanism between magnetic ions and Curie temperature of Vanadium - doped Nitrides (AlN, GaN, and InN) are studied within KKR-LSDA-CPA. It is found that the ferromagnetic super-exchange…

Magnetization, nuclear magnetic resonance, high-resolution x-ray diffraction and magnetic field-dependent neutron diffraction measurements reveal a novel magnetic ground state of Ba{0.60}K{0.40}Mn2As2 in which itinerant ferromagnetism (FM)…

Differential scanning calorimetry (DSC) and magnetic measurements were performed to study the influence of ferromagnetic 3-d transition elements Fe and Co on structural and magnetic properties of ferromagnetic shape memory alloys Ni2MnGa.…

The magnetic properties of a material are determined by a subtle balance between the various interactions at play, a fact that makes the design of new magnets a daunting task. High-throughput electronic structure theory may help to explore…

Otherwise antiferromagnetic chromium is shown to couple ferromagnetically when doped into GaN irrespective of whether the host is a crystal or a cluster. The results on the doped clusters and crystals are obtained from density functional…

Due to the similarity to BaFe2As2 and SrFe2As2 the RFe2Si2 (R=La, Y and Lu) system has been proposed as a potential candidate for a new superconducting family containing Fe-Si layers as a structural unit. Various R(Fe1-xMx)2Si2 M=Ni, Mn and…

A comprehensive study of thermodynamic properties of three samples of bimetallic molecular magnets [Co$^{\mathrm{II}}$(pyrazole)$_{4}$]$_{2x}$[Fe$^{\mathrm{II}}$(pyrazole)$_{4}$]$_{2(1-x)}$[Nb$^{\mathrm{IV}}$(CN)$_{8}$]$\cdot$4H$_{2}$O with…

The effects of Gd doping and O vacancies on the magnetic interaction and Curie temperature of EuO are studied using first-principles calculations. Linear response calculations in the virtual crystal approximation show a broad maximum in the…

The Ce$_2$Fe$_{17}$ intermetallic compound has been studied intensely for several decades; its low-temperature state is reported experimentally either as ferromagnetic or antiferromagnetic by different authors, with a measured ordering…

We describe an ab-initio Disordered Local Moment Theory for materials with quenched static compositional disorder traversing first order magnetic phase transitions. It accounts quantitatively for metamagnetic changes and the magnetocaloric…

A first-principles approach combining density functional and dynamical mean-field theories in conjunction with a quasi-atomic approximation for the strongly localized 4$f$ shell is applied to Nd$_{2}$Fe$_{14}$B-based hard magnets in order…

The narrowness of the optical transitions of rare-earth-ion dopants makes them highly sensitive probes of their environment. We measured the optical transitions Er$^{3+}$ dopants to determine the previously unknown magnetic ordering of…

Magnetism of the spin-$\frac12$ $\alpha$-KVOPO$_4$ is studied by thermodynamic measurements, $^{31}$P nuclear magnetic resonance (NMR), neutron diffraction, and density-functional band-structure calculations. Ferromagnetic Curie-Weiss…

Magnetization, resistivity and specific heat measurements were performed on the solution-grown, single crystals of six GdT$_2$Zn$_{20}$ (T = Fe, Ru, Os, Co, Rh and Ir) compounds, as well as their Y analogues. For the Gd compounds, the Fe…

We studied the structural and magnetic properties of the solid solution Fe$_{1-x}$Ni$_{x}$B through theoretical and experimental approaches. Powder X-ray diffraction, X-ray Pair Distribution Function analysis, and energy dispersive X-ray…

We report on synthesis, crystal structure, magnetic, thermodynamic and transport properties of the new compound YbPd$_2$In, crystallizing as a Heusler structure type. A trivalent state of the rare earth was determined by fitting the…

The magnetic properties and structural stability of Nd$_{2}$Fe$_{14}X$ ($X$ = B, C, N, O, F) are theoretically studied by first-principles calculations focusing on the role of $X$. We find that B reduces the magnetic moment (per formula…

We have explored, computationally and experimentally, the magnetic properties of \fecob{} alloys. Calculations provide a good agreement with experiment in terms of the saturation magnetization and the magnetocrystalline anisotropy energy…

The magnetic compensation and magnetostriction properties in Fe doped CoCr2O4 samples have been investigated. Structural and magnetic measurements imply that the doped Fe3+ ions initially occupy the B1(Cr) sites when x<0.1, and then mainly…