Related papers: Substitutional Doping of Symmetrical Small Fullere…
Diluted magnetic semiconductors (DMSs), in which magnetic elements are substituted for a small fraction of host elements in a semiconductor lattice, can become ferromagnetic when doped. In this article we discuss the physics of DMS…
Recent experiments on Mn-doped ZnS nanocrystals have shown unusual magnetization properties. We describe a nearest-neighbor Heisenberg exchange model for calculating the magnetization ratios of these antiferromagnetically doped crystals, in…
We present the magnetic properties of a strongly spin-orbit coupled quantum dimer magnet based on Co$^{2+}$. The metal-organic framework compound Co$_2$(BDC)$_2$(DPTTZ)$_2$$\cdot$DMF features Co$^{2+}$ dimers arranged nearly orthogonal to…
The controlled modification of the electronic properties of ZnO nanorods via transition metal doping is reported. A series of ZnO nanorods were synthesized by chemical bath growth with varying Co content from 0 to 20 atomic % in the growth…
Penta-graphene (PG) is a carbon allotrope that has recently attracted the attention of the materials science community due to its interesting properties for renewable energy applications. Although unstable in its pure form, it has been…
Density functional methods have been used to calculate the electronic properties of aligned smalldiameter single-walled carbon nanotubes under hydrostatic pressures. Abrupt pressure induced semiconductor-metal and metal-semiconductor…
Fe$_{3}$Ga$_{4}$ displays a complex magnetic phase diagram that is sensitive and tunable with both electronic and crystallographic structure changes. In order to explore this tunability, vanadium-doped (Fe$_{1-x}$V$_{x}$)$_{3}$Ga$_{4}$ has…
Ab-initio calculations have been performed to study the geometry and electronic structure of boron (B) and nitrogen (N) doped graphene sheet. The effect of doping has been investigated by varying the concentrations of dopants from 2 % (one…
The tuning black phosphorene properties such as structural, electronic, transport are explored via substitutional C-doped. We employed density functional theory (DFT) calculations in combination with non-equilibrium Green's function (NEGF)…
The effects of Ni$^{2+}$ substitution on the structure (lattice parameters, cations distribution, average cations radii, cation-cation/anion bond lengths and angles) and the soft magnetic properties of Mg$_{1-x}$Ni$_x$Fe$_2$O$_4$ ($0 \le x…
An emerging branch of electronics, the optospintronics, would be highly boosted if the control of magnetic order by light is implemented in magnetic semiconductors nanostructures being compatible with the actual technology. Here we show…
We report on the tuning of magnetic interactions in superlattices composed of single and bilayer SrIrO$_3$ inter-spaced with SrTiO$_3$. Magnetic scattering shows predominately $c$-axis antiferromagnetic orientation of the magnetic moments…
The revealing properties of transition metal (T)-doped graphene systems are investigated with the use of the first-principles method. The detailed calculations cover the bond length, position and height of adatoms, binding energy,…
The search for half-metals and spin-gapless semiconductors has attracted extensive attention in material design for spintronics. Existing progress in such a search often requires peculiar atomistic lattice configuration and also lacks…
Structure, transport and magnetic properties have been investigated for layered NaCo1-xMnxO2 materials. With the increase of Mn-doping amount, measurements of x-ray diffraction indicate that the in-plane lattice parameter a decreases…
The size-dependent electronic, structural, magnetic and vibrational properties of small pure cop- per and silver clusters and their alloys with one and two palladium atoms are studied by using full-potential all-electron density functional…
Heusler alloys containing Co and Mn are amongst the most heavily studied half-metallic ferromagnets for future applications in spintronics. Using state-of-the-art electronic structure calculations, we investigate the effect of doping and…
In this work, we study the effect of the magnetic dilution of Cr$^{3+}$ on the LaCrO$_3$ half doped with Al. Pure and half-doped samples were prepared by combustion method using urea as fuel. The crystal structure was investigated by X-ray…
We address one of the main challenges to TiO2-photocatalysis, namely band gap narrowing, by combining nanostructural changes with doping. With this aim we compare TiO2's electronic properties for small 0D clusters, 1D nanorods and…
Magnetic doping with transition metal ions is the most widely used approach to break timereversal symmetry in a topological insulator, a prerequisite for unlocking the TIs exotic potential. Recently, we reported the doping of Bi2Te3 thin…