Computational calculation of the magnetic properties of MnO/ZnO superlattice
Journal Title: TecnoLógicas - Year 2016, Vol 19, Issue 36
Abstract
First-principle calculations were performed in order to investigate the structural, electronic and magnetic properties of 1x1 MnO/ZnO superlattice in the wurtzite-type structure. The full-potential linearized augmented-plane-wave (FP-LAPW) method was used, as implemented in the WIEN2k computational code. Exchange and correlation effects are treated using the generalized gradient approximation (GGA) of PerdewBurke-Ernzerhof (PBE). The analyze of the structural properties show that the value of the bulk moduli is high, therefore is quite rigid and this feature makes them good candidates for possible application in devices that have to operate at high temperatures, under high power, and in hard coatings. The electronic density studies show that the MnO/ZnO superlattice have a half-metallic behavior with a magnetic spin polarization of 100% and a magnetic moment of 5 µβ/atom-Mn in the ground state. The ferromagnetic state comes from the hybridization of the Mn-3d and O-2p states that cross the Fermi level. This superlattice is a good candidate for spintronic applications.
Authors and Affiliations
Miguel J. Espitia-Rico, John H. Díaz-Forero
Keywords
Related Articles
- EP ID EP401820
- DOI 10.22430/22565337.586
- Views 131
- Downloads 0
Detecting atypical functioning of emotional processing in Colombian ex-combatants
The reincorporation process of Colombian ex-combatants is hindered by their chronic exposure to violence, which affects their Emotional Processing (EP). Characterizing their EP will contribute to their...
Optimization of non-stationary Stackelberg models using a self-adaptive evolutionary algorithm
Stackelberg’sgame models involve an important family of Game Theory problems with direct application on economics scenarios. Their main goal is to find an optimal equilibrium between the decision...
Performance of clustering techniques for solving multi depot vehicle routing problem
The vehicle routing problem considering multiple depots is classified as NP-hard. MDVRP determines simultaneously the routes of a set of vehicles and aims to meet a set of clients with a known demand. The objective funct...
Analysis of the efficiency of a virtualoptical multiplexing method, by using theta modulation
We present an efficient virtual-optical multiplexing method for compressing information contained in gray level images. The efficiency is measured using three parameters: quality factors of...
Changes in the bioactive compounds of pasteurized gooseberry (Physalis peruviana L.) juice
The worldwide market of fruit drinks is interested in exotic juices with high nutritional value, and part of that demand can be satisfied with gooseberry derivatives. Therefore, the objective of this study was to evaluat...