RESUMEN
Nearly a 30% increase in the ferromagnetic phase transition temperature has been achieved in strained MnAs nanocrystals embedded in a wurtzite GaAs matrix. Wurtzite GaAs exerts tensile stress on hexagonal MnAs nanocrystals, preventing a hexagonal to orthorhombic structural phase transition, which in bulk MnAs is combined with the magnetic one. This effect results in a remarkable shift of the magneto-structural phase transition temperature from 313 K in the bulk MnAs to above 400 K in the tensely strained MnAs nanocrystals. This finding is corroborated by the state of the art transmission electron microscopy, sensitive magnetometry, and the first-principles calculations. The effect relies on defining a nanotube geometry of molecular beam epitaxy grown core-multishell wurtzite (Ga,In)As/(Ga,Al)As/(Ga,Mn)As/GaAs nanowires, where the MnAs nanocrystals are formed during the thermal-treatment-induced phase separation of wurtzite (Ga,Mn)As into the GaAs-MnAs granular system. Such a unique combination of two types of hexagonal lattices provides a possibility of attaining quasi-hydrostatic tensile strain in MnAs (impossible otherwise), leading to the substantial ferromagnetic phase transition temperature increase in this compound.
RESUMEN
The encapsulation of two-dimensional layered materials such as black phosphorus is of paramount importance for their stability in air. However, the encapsulation poses several questions, namely, how it affects, via the weak van der Waals forces, the properties of the black phosphorus and whether these properties can be tuned on demand. Prompted by these questions, we have investigated the impact of hexagonal boron nitride encapsulation on the structural and vibrational properties of few layer black phosphorus, using a first-principles method in the framework of density functional theory. We demonstrate that the encapsulation with hexagonal boron nitride imposes biaxial strain on the black phosphorus material, flattening its puckered structure, by decreasing the thickness of the layers via the increase of the puckered angle and the intra-layer P-P bonds. This work exemplifies the evolution of structural parameters in layered materials after the encapsulation process. We find that after encapsulation, phosphorene (single layer black phosphorous) contracts by 1.1% in the armchair direction and stretches by 1.3% in the zigzag direction, whereas few layer black phosphorus mainly expands by up to 3% in the armchair direction. However, these relatively small strains induced by the hexagonal BN, lead to significant changes in the vibrational properties of black phosphorus, with the redshifts of up to 10 cm-1 of the high frequency optical mode A g 1. In general, structural changes induced by the encapsulation process open the door to substrate controlled strain engineering in two-dimensional crystals.
RESUMEN
Owing to the variety of possible charge and spin states and to the different ways of coupling to the environment, paramagnetic centres in wide band-gap semiconductors and insulators exhibit a strikingly rich spectrum of properties and functionalities, exploited in commercial light emitters and proposed for applications in quantum information. Here we demonstrate, by combining synchrotron techniques with magnetic, optical and ab initio studies, that the codoping of GaN:Mn with Mg allows to control the Mn(n+) charge and spin state in the range 3≤n≤5 and 2≥S≥1. According to our results, this outstanding degree of tunability arises from the formation of hitherto concealed cation complexes Mn-Mg(k), where the number of ligands k is pre-defined by fabrication conditions. The properties of these complexes allow to extend towards the infrared the already remarkable optical capabilities of nitrides, open to solotronics functionalities, and generally represent a fresh perspective for magnetic semiconductors.