相关论文: New Ferromagnetic Nitrides CaN and SrN and their s…

Employing first-principles calculations we study the structural, electronic and magnetic properties of the [Sc$_{1-x}$V$_x$]C and [Sc$_{1-x}$V$_x$]Si alloys. In their equilibrium rocksalt structure all alloys are non-magnetic. The…

Half-metallic ferromagnetic full-Heusler alloys containing Co and Mn, having the formula Co$_2$MnZ where Z a sp element, are among the most studied Heusler alloys due to their stable ferromagnetism and the high Curie temperatures which they…

The stability and magnonic properties of double-layered antiferromagnets are investigated using two model systems, a linear chain (LC) and a more complex chain of railroad trestle (RT) geometry, and the results are confronted with…

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…

Single crystals of a new layered compound, Cr1.21Te2, was synthesized via a vapor transport method. The crystal structure and physical properties were characterized by single crystal and powder x-ray diffraction, temperature- and…

Six half-metallic ferromagnets X0.75Y0.25C (X=Si, Ge, Sn and Y =Ca and Sr) with zinc-blende structure, resulting from alkaline-earth (Ca, Sr) substitution for X, are predicted based on the density functional theory. The calculated total…

Over the last decade the search for compounds combining the resources of semiconductors and ferromagnets has evolved into an important field of materials science. This endeavour has been fuelled by continual demonstrations of remarkable…

First-principles calculations through a FLAPW-GGA method for six possible polymorphs of ruthenium mononitride RuN with various atomic coordination numbers CNs: cubic zinc blende (ZB) and cooperite PtS-like structures with CNs = 4; cubic…

Electronic structure calculation were used to predict a new material for spintronic applications. Co2Mn0.5Fe0.5Si is one example which is stable against on-site correlation and disorder effects due to the position of the Fermi energy in the…

The discovery of materials that simultaneously host different phases of matter has often initially confounded, but ultimately enhanced, our basic understanding of the coexisting types of order. The associated intellectual challenges,…

We systematically study the pristine and doped chromium arsenide (CrAs) in six different crystal structures to investigate the structural, magnetic, and optical properties for real applications by first-principles calculations. First, we…

A one-step synthesis of Ca$_x$Zn$_{1-x}$Fe$_2$O$_4$ (x=0, 0.5 and 1) nanoferrites and nanocomposites by the glycol-thermal method is reported. The structural, morphological and magnetic properties were studied using XRD, HRTEM, HRSEM,…

We report a novel synthesis method for, and structural and magnetic characterization of the fluoroperovskite $\mathrm{NaFeF_3}$. We have developed a wet-chemical method that allows preparation of large volumes of air-sensitive…

Samples consisting of one ferromagnetic and one diamagnetic component which are immiscible at the thermodynamic equilibrium (Co-Cu, Fe-Cu, Fe-Ag) are processed by high-pressure torsion at various compositions. The received microstructures…

In the latest experimental advances, Ni-, Co- and Cu-HAB MOFs were synthesized in 2D forms, with high electrical conductivities and capacitances as well. Motivated by these experimental advances, we employed first-principles simulations to…

Single crystals of SrMn$_2$Ni$_6$Te$_3$O$_{18}$, a member of the ferroaxial-type magnetic oxide family $AB_{2}C_{6}$Te$_3$O$_{18}$ ($A$ = Pb, Sr; $B$ = Mn, Cd; $C$ = Ni, Co), have been successfully grown, and their structural, magnetic,…

Quantum and thermal behaviors of low-dimensional mixed-spin systems are investigated with particular emphasis on the design of molecule-based ferromagnets. One can obtain a molecular ferromagnet by assembling molecular bricks so as to…

We present a spin density functional theory (DFT) study for semiconducting ScN and Mn-substituted ScN. Their structural and magnetic properties have been investigated using the all electrons augmented spherical wave method (ASW) with a…

Ferrimagnetism typically emerges from chemically distinct magnetic ions or the same element at two inequivalent crystallographic sites, rendering unequal moments. In contrast, Ni4Nb2O9 has been recently discovered to show a different…

Using first-principles calculations in combination with special quasirandom structure and occupation control matrix methods, we study the magnetic ordering and the effect of pressure on manganese sulfide polymorphs. At ambient conditions,…