Antiferromagnetic order in (Ga,Mn)N nanocrystals: A density functional theory study

We investigate the electronic and magnetic properties of (Ga,Mn)N nanocrystals using the density functional theory. We study both wurtzite and zinc-blende structures doped with one or two substitutional Mn impurities. For a single Mn dopant placed close to surface, the behavior of the empty Mn-induced state, hereafter referred to as "Mn hole", is different from bulk (Ga,Mn)N. The energy level corresponding to this off-center Mn hole lies within the nanocrystal gap near the conduction edge. For two Mn dopants, the most stable magnetic configuration is antiferromagnetic, and this was unexpected since (Ga,Mn)N bulk shows ferromagnetism in the ground state. The surprising antiferromagnetic alignment of two Mn spins is ascribed also to the holes linked to the Mn impurities located close to surface. Unlike Mn holes in (Ga,Mn)N bulk, these Mn holes in confined (Ga,Mn)N nanostructures do not contribute to the ferromagnetic alignment of the two Mn spins

Optical spin control in nanocrystalline magnetic nanoswitches

We investigate the optical properties of (Cd,Mn)Te quantum dots (QDs) by looking at the excitons as a function of the Mn impurities positions and their magnetic alignments. When doped with two Mn impurities, the Mn spins, aligned initially antiparallel in the ground state, have lower energy in the parallel configuration for the optically active spin-up exciton. Hence, the photoexcitation of the QD ground state with antiparallel Mn spins induces one of them to flip and they align parallel. This suggests that (Cd,Mn)Te QDs are suitable for spin-based operations handled by light

First-principles calculations of the magnetic properties of (Cd,Mn)Te nanocrystals

We investigate the electronic and magnetic properties of Mn-doped CdTe nanocrystals (NCs) with 2 nm in diameter which can be experimentally synthesized with Mn atoms inside. Using the density-functional theory, we consider two doping cases: NCs containing one or two Mn impurities. Although the Mn d peaks carry five up electrons in the dot, the local magnetic moment on the Mn site is 4.65 mu_B. It is smaller than 5 mu_B because of the sp-d hybridization between the localized 3d electrons of the Mn atoms and the s- and p-type valence states of the host compound. The sp-d hybridization induces small magnetic moments on the Mnnearest- neighbor Te sites, antiparallel to the Mn moment affecting the p-type valence states of the undoped dot, as usual for a kinetic-mediated exchange magnetic coupling. Furthermore, we calculate the parameters standing for the sp-d exchange interactions. Conduction N0\alpha and valence N0\beta are close to the experimental bulk values when the Mn impurities occupy bulklike NCs' central positions, and they tend to zero close to the surface. This behavior is further explained by an analysis of valence-band-edge states showing that symmetry breaking splits the states and in consequence reduces the exchange. For two Mn atoms in several positions, the valence edge states show a further departure from an interpretation based in a perturbative treatment. We also calculate the d-d exchange interactions |Jdd| between Mn spins. The largest |Jdd| value is also for Mn atoms on bulklike central sites; in comparison with the experimental d-d exchange constant in bulk Cd0.95Mn0.05Te, it is four times smaller

Thermomagnetic detection of recrystallization in FeCoNbBCu nanocrystalline alloys

The recrystallization process in FeCoNbBCu nanocrystallinealloys is evidenced from thermomagnetic results as a significant decrease in magnetization at the second crystallization stage. The lowering in the volume fraction of α-FeCo crystals indicates that some of these crystals contribute to the boride phases formed. Electron microscopy images reveal that the final microstructure consists of large crystals (∼500 nm) of a fcc (FeCo)23B6(FeCo)23B6 phase and small crystals (∼20 nm) of bcc α-FeCo and of some boride phases as such (FeCo)2B

Argon assisted chemical vapor deposition of CrO2_2: an efficient process leading to high quality epitaxial films

A comparative study of the structural, microstructural and magnetic properties of CrO$_2$ thin films grown onto (110) and (100) TiO$_2$ rutile single crystal substrates by chemical vapor deposition (CVD), using CrO$_3$ as chromium precursor and either oxygen or argon as carrier gas is presented. Our results show that growth under argon carrier gas leads to high quality CrO$_2$ epilayers with structural and magnetic properties similar to those obtained using the more standard oxygen carrier gas. Furthermore, we interpret the larger magnetic coercivity observed for the (110) oriented films in terms of their microstructure, in particular of the highest strain and edge roughness of the building structures of the CrO$_2$ epilayers, which are settled by the substrate crystallographic orientation.Comment: 27 pages, 2 tables, 8 figure

Enhanced magnetocaloric response in Cr/Mo containing Nanoperm-type amorphous alloys

The magnetocaloric effect of Fe76Cr8−xMoxCu1B15 (x =0,4) alloys is studied. Although the combined addition of Cr and Mo is more efficient in tuning the Curie temperature of the alloy, the Mo-free alloy presents a higher magnetocaloric response. The refrigerant capacity (RC) for the Mo-containing alloy is comparable to that of Gd5Ge1.9Si2Fe0.1 (for a field of 50 kOe, RC = 273 J kg−1 for the Mo alloy vs 240 J kg−1 for the Gd-based one), with a larger temperature span of the optimal refrigeration cycle (250 K vs 90 K, respectively). The restriction of the temperature span to 90 K gives RC = 187 J kg−1 for the Mo alloy. A master curve behavior for the magnetic entropy change is also evidenced