Related papers: Computational study on the half-metallicity in tra…
Bare and surface-passivated Fe2N, Co2N, and Ni2N MXene were investigated by using density functional theory. Fe2N(OH)2, Fe2NO2, Co2NO2, Ni2NF2, Ni2N(OH)2, and Ni2NO2 are intrinsic half-metals, while other structures have antiferromagnetic…
Graphitic carbon nitride nanosheets are among 2D attractive materials due to presenting unusual physicochemical properties.Nevertheless, no adequate information exists about their mechanical and thermal properties. Therefore, we used…
Two-dimensional (2D) intrinsic half-metallic materials are of great interest to explore the exciting physics and applications of nanoscale spintronic devices, but no such materials have been experimentally realized. Using first-principles…
The multifunctional materials with prominent properties such as electrical, ferroelectric, magnetic, optical and magneto-optical are of keen interest to several practical implications. In the roadmap of designing such materials, in the…
Here, we study the magnetism of the distorted 1T-TcX2 (X=S,Se) based on first-principles calculation. The magnetism originates from the hole doping due to the density of states near the valence band edge having van Hove singularity feature.…
The quest for room-temperature nanoscale magnets remains a central challenge, driven by their promising applications in quantum technologies. Layered $4d$ and $5d$ transition metal oxides with high magnetic ordering temperatures offer…
Two-dimensional (2D) transition metal nitrides have a wide prospect of applications in the fields of physics, chemistry, materials, etc. However, 2D transition metal nitrides with strong magnetism, especially high N$\rm \acute{e}$el…
Carbon nitride two-dimensional (2D) materials are among the most attractive class of nanomaterials, with wide range of application prospects. As a continuous progress, most recently, two novel carbon nitride 2D lattices of C3N5 and C3N4…
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…
Binary transition metal nitride with a graphene-like structure and strong magnetic properties is rare. Based on the first-principles calculations, we design two kinds of $M$N$_4$ ($M$ =transition metal) monolayers, which are transition…
The prospects of half-metallic ferromagnetism being induced by the incorporation of C atoms into alkaline-earth-metal-oxides are investigated by the first principle calculation. The origin of the ferromagnetism is discussed through the…
The coexistence of high-temperature intrinsic ferromagnetic ordering, large magnetic anisotropy, along with novel mechanical properties such as ferroelasticity and flexibility, in experimental feasible two-dimensional (2D) crystals is…
A two-dimensional double-metal oxide MnCoO4 was predicted to be an intrinsic ferromagnetic semiconductor by using density functional theory. The low cleavage energy 0.36 Jm-2, which is similar to that of graphene, indicates that it can be…
A review is given of advances in the field of carrier-controlled ferromagnetism in Mn-based diluted magnetic semiconductors and their nanostructures. Experimental results for III-V materials, where the Mn atoms introduce both spins and…
Transport measurements on thin films of NdNiO$_3$ reveal a crossover to a regime of pronounced nonlinear conduction below the well-known metal-insulator transition temperature. The evolution of the transport properties at temperatures well…
Based on the first principle calculation, we propose a new class of high-$T_c$ half-heusler ferromagnets NiMnZ (Z = Si, P, Ge, As). The structural and magnetic properties are investigated through the calculation of the electronic structure,…
The magnetic transition-metal (TM) @ oxide nanoparticles have been of great interest due to their wide range of applications, from medical sensors in magnetic resonance imaging to photo-catalysis. Although several studies on small clusters…
Composition, atomic structure, and electronic properties of TM$_x$Mg$_y$O$_z$ clusters (TM = Cr, Ni, Fe, Co, $x+y \leq 3$) at realistic temperature $T$ and partial oxygen pressure $p_{\textrm{O}_2}$ conditions are explored using the {\em ab…
In this work the theoretical and experimental investigations of Co2TiZ (Z = Si, Ge, or Sn) compounds are reported. Half-metallic ferromagnetism is predicted for all three compounds with only two bands crossing the Fermi energy in the…
In the present investigation resistivity Vs temperature measurements have been performed for solgel prepared pure and Ni doped CdO (NDO) thin films. The semiconducting behavior i.e. negative temperature coefficient of resistivity (TCR) of…