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The search for a two-dimensional material that simultaneously fulfills some properties for its use in spintronics and optoelectronics, i.e., a suitable bandgap with high in-plane carrier mobility and good environmental stability, is the…
We propose a class of graphene nanoribbons showing strong intrinsic ferromagnetic behavior due to their asymmetry. Such ribbons are based on a zig-zag edged backbone surmounted by a periodic, triangular notched region of variable size. The…
Graphene nanoribbons are the counterpart of carbon nanotubes in graphene-based nanoelectronics. We investigate the electronic properties of chemically modified ribbons by means of density functional theory. We observe that chemical…
$Na_xCoO_2$ has a fascinating and complex magnetic phase diagram that can be further manipulated by doping. Here, we investigated the effect of electron doping on the magnetic coupling among $Co^{4+}$ ions in $Na_xCoO_2$ using density…
Having access to the chemical environment at the atomic level of a dopant in a nanostructure is crucial for the understanding of its properties. We have performed atomically-resolved electron energy-loss spectroscopy to detect individual…
We report on detailed structural, electronic and magnetic studies of GdMn$_{1-x}$Cr$_x$O$_3$ for Cr doping levels 0 $\le$ $x$ $\le$ 1. In the solid solutions, the Jahn-Teller distortion associated with Mn$^{3+}$ ions gives rise to major…
A simple surface band structure and a large bulk band gap have allowed Bi2Se3 to become a reference material for the newly discovered three-dimensional topological insulators, which exhibit topologically-protected conducting surface states…
Recent experiments on the amorphous magnetic semiconductor Gd_x Si_{1-x}, Phys. Rev. Lett. 77, 4652 (1996), ibid 83, 2266 (1999), ibid 84, 5411 (2000), ibid 85, 848 (2000), have revealed an insulator-metal transition (i-m-t), as a function…
We report on the magnetic properties of HoCo dimers as a model system for the smallest intermetallic transition metal-lanthanide compound. The dimers are adsorbed on ultrathin MgO(100) films grown on Ag(100). New for $4f$ elements, we…
It is demonstrated by means of density functional and ab-initio quantum chemical calculations, that transition metal - carbon systems have the potential to enhance the presently achievable area density of magnetic recording by three orders…
We have investigated electronic structures of a room temperature diluted magnetic semiconductor : Co-doped anatase $\rm TiO_{2}$. We have obtained the half-metallic ground state in the local-spin-density approximation(LSDA) but the…
The electronic and magnetic properties of carbon nanobuds have been investigated using density functional theory. The carbon nanobuds are formed by attaching smaller fullerenes (C20, C28, C36 and C40) of variable size with (5,5) ACNT and…
Study and comparison of over 30 examples of electron doped BaFe2As2 for transition metal (TM) = Co, Ni, Cu, and (Co/Cu mixtures) have lead to an understanding that the suppression of the structural/antiferromagnetic phase transition to low…
The effect of Cr doping with nominal compositions Mn2-xCrxO3 (0 less than equal to x less than equal to 0.10) has been undertaken to investigate its effect on structural, magnetic, dielectric and magnetoelectric properties. The Cr doping…
The main obstacles in realizing diluted magnetic oxide (DMO) in spintronics are the unknown electronic structures associated with its high TC ferromagnetism and spin polarized current and how to manipulate desired electronic structures by…
The mechanisms underlying the enhancement of magnetic anisotropies (MAs) of Sm ions, owing to valence electrons at the Sm site and the screened nuclear charges of ligands, are clarified using a detailed analysis of crystal fields (CF). In…
This paper reports the effect of Fe doping on the structure and room temperature ferromagnetism of CeO2 nanoparticles. X-ray diffraction and selective area electron diffraction measurement reflects that Ce1-xFexO2 (x = 0.0 - 0.07)…
Two-dimensional graphene exhibits many fascinating properties such as ballistic electronic conduction and quantum Hall effect at room temperature.1-4 Graphene doped electrochemically or through charge-transfer with electron-donor and…
Tin monoxide (SnO) is a p-type oxide semiconductor whose electronic properties can be widely modified via atomic-scale engineering. Using density functional theory, we investigate the electronic and magnetic properties of transition-metal…
Diluted Magnetic Semiconductors (DMS) doped with a small concentration of magnetic impurities inducing ferromagnetic DMSs have attracted a lot of attention in the few last years. In particular, DMS based on III-V and II-VI semiconductors…