相关论文: Improved room-temperature-selectivity between Nd a…

The electronic structure and magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO have been investigated using first-principles methods. We show that the magnetic coupling between Gd or Nd ions in the nearest neighbor sites…

A classical spin model derived ab initio for rare-earth-based permanent magnet compounds is presented. Our target compound, NdFe$_{12}$N, is a material that goes beyond today's champion magnet compound Nd$_{2}$Fe$_{14}$B in its intrinsic…

Rare earth Manganite Nickelite double perovskites are prepared by solgel assisted combustion route, where, R varies from La, Pr, Nd, Sm, Gd, Tb, Dy, Y, and Ho. The samples have been systematically investigated using powder xray diffraction,…

Due to the resource criticality of rare-earths (RE), an alternative to the well-known Nd$_2$Fe$_{14}$B magnets with a lower amount of critical elements is required. In this work, density functional theory (DFT) calculations to investigate…

Among the members of the series R2PdSi3 (R= Rare-earths), the magnetic behavior of the Nd compound is interesting in some respects. This compound is considered to order ferromagnetically (below 16 K), unlike other members of this series…

We investigate the effect of alloying at the 3d transition metal site of a rare-earth-transition metal oxide, by considering NdFe0.5Cr0.5O3 alloy with two equal and random distribution of 3d ions, Cr and Fe, interacting with an early 4f…

New hard magnetic materials with zero or low rare earth content are in demand due to the high prices of the rare earth metals. Among the candidates for such materials, we consider MnB, FeB and their alloys, because previous experiments…

The compound, Nd2PdSi3, belonging to R2PdSi3 family (R = rare-earths) has been known to exhibit exotic behavior due to unusual Nd 4f hybridization. Here, we study the electronic properties of Nd2RhSi3 employing ac and dc magnetization,…

As lithium-ion battery demand grows, so do fire safety challenges. Despite this, research on fire-damaged batteries remains limited. This study explores the distribution of valuable metals (such as Ni, Mn, Co, Cu) in two types of waste…

Strong permanent magnets mainly consist of rare earths ($R$) and transition metals ($T$). The main phase of the neodymium magnet, which is the strongest magnet, is Nd$_2$Fe$_{14}$B. Sm$_{2}$Fe$_{17}$N$_{3}$ is another magnet compound having…

We report an unusual temperature (T) dependent electrical resistivity($\rho$) behavior in a class of ternary intermetallic compounds of the type RCuAs$_2$ (R= Rare-earths). For some rare-earths (Sm, Gd, Tb and Dy) with negligible…

The hydrogenation of Nd2Fe14B under a high pressure of hydrogen has been investigated for the first time. At the heat-treatment temperature of 600 degree C, the almost complete decomposition of Nd2Fe14B into NdH2+x and alpha-Fe is observed,…

Successful synthesis of room-temperature ferromagnetic semiconductors, Zn$_{1-x}$Fe$_{x}$O, is reported. The essential ingredient in achieving room-temperature ferromagnetism in bulk Zn$_{1-x}$Fe$_{x}$O was found to be additional Cu doping.…

The low efficiency of conventional liquefaction technologies based on the Joule-Thomson expansion makes liquid hydrogen currently not attractive enough for large-scale energy-related technologies that are important for the transition to a…

We report muon spin rotation ($\mu$SR) and neutron diffraction on the rare-earth based magnets (Mo$_{2/3}$RE$_{1/3}$)$_2$AlC, also predicted as parent materials for 2D derivatives, where RE = Nd, Gd (only ($\mu$SR), Tb, Dy, Ho and Er. By…

We have used a combination of density functional theory (DFT) and kinetic Monte Carlo (KMC) simulations to calculate the reaction rates for the selective oxidation of ammonia on RuO2(110). We find that the overall energy barrier for NH3 + O…

The present work reproduces the room temperature ferromagnetism by doping magnetic Mn atoms in diamagnetic ZnO. The ferromagnetic ordering is extended up to 640 K in mechanical milled Zn0.95Mn0.05O samples. The bulk and nanocrystalline…

The Nd permanent magnet (Nd$_{2}$Fe$_{14}$B) is an indispensable material used in modern energy conversion devices. The realization of high coercivity at finite temperatures is a burning issue. One of the important ingredients for…

Crystal-field (CF) effects on the rare-earth (RE) ions in ferrimagnetic intermetallics NdCo$_5$ and TbCo$_5$ are evaluated using an ab initio density functional + dynamical mean-field theory approach in conjunction with a quasi-atomic…

The low-temperature magnetic structure of NdFeAsO has been revisited using neutron powder diffraction and symmetry analysis using the Sarah representational analysis program. Four magnetic models with one magnetic variable for each of the…