Electronic and magnetic properties GaN/MnN/GaN and MnN/GaN/MnN interlayers

3rd International Meeting for Researchers in Materials and Plasma Technology; 1st Symposium on Nanoscience and Nanotechnology

物理学;材料科学

Ortega López, C.^1 ; Casiano Jímenez, G.^1 ; Espitia, M.J.^2

Universidad de Córdoba, Montería, Colombia^1

Universidad Distrital Francisco Joséde Caldas, Bogotá, Colombia^2

关键词: Computational calculations;    Density of state;    Electronic and magnetic properties;    Generalized gradient approximations;    Metallic behaviour;    Polarization state;    Pseudopotentials;    Total energy calculation;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/687/1/012052/pdf
DOI  :  10.1088/1742-6596/687/1/012052

学科分类：材料科学（综合）

来源: IOP

【 摘 要 】

In this work we execute computational calculations to investigate the structural, electronic and magnetic properties of the GaN/MnN/GaN and MnN/GaN/MnN interlayers. The calculations were carried out by a method based on pseudopotentials, as implemented in the Quantum ESPRESSO code. For the description of the electron-electron interaction, generalized gradient approximation (GGA) was used. The total energy calculation reveal that the GaN/MnN/GaN interlayer is energetically most favourable that the MnN/GaN/MnN. Analysis of the density of states show that the interlayers have metallic behaviour that comes essentially from the hybridization and polarization states Mn-d and N-p cross the Fermi level. The interlayers have magnetic properties with a magnetic moment of 8μβ/cell. Due these properties the superlattices can be potentially used in the field of spintronic.