support@kaust.edu.sa
+966 (12) 808-3463
  • العربية
logo-black
  • Home
  • People
    • Current
    • Alumni
  • Publications
    • 2021
    • 2020
    • 2019
    • 2018
    • 2017
    • 2016
    • 2015
    • 2014
    • 2013
    • 2012
    • 2011
    • 2010
    • 2009
  • Research
    • Current Research
  • Collaboration
  • News
  • Facilities
  • Join us
  • Contact us
  • Conferences
Semiconductor and Material Spectroscopy Laboratory
breadcrumb-bg

Structural, magnetic and electronic properties of two dimensional NdN: an ab initio study

  1. Publications
  • Clear filters

Structural, magnetic and electronic properties of two dimensional NdN: an ab initio study

by Assa Aravindh Sasikala Devi, Iman S Roqan
Year: 2019 DOI: 10.1039/c9ra07429e

Abstract

The peculiar magnetic properties of rare earth nitrides (RENs) make them suitable for a wide range of applications. Here, we report on a density functional theory (DFT) study of an interesting member of the family, two-dimensional (2D) NdN film, using the generalized gradient approximation (GGA), including the Hubbard (U) parameter. We consider different film thicknesses, taking into account the effects of N vacancies (VN) and dopants (C and O). Formation energy values show that, even though N vacancy is the predominant defect, C and O dopants are also probable impurities in these films. Individual Nd and N magnetic moments oscillate in the presence of VN and dopants owing to the induced lattice distortions. The density of states calculations show that the 2D NdN film has a semi-metallic nature, while the f orbitals are separated into fully filled and empty bands. A magnetic anisotropy energy of ∼50 μeV is obtained, and the easy axis aligns along the film orientation as the film thickness increases, revealing that such films are ideal candidates for spintronic applications.

Keywords

Structural, magnetic and electronic properties of two dimensional NdN: an ab initio study
logo-white

"KAUST shall be a beacon for peace, hope and reconciliation, and shall serve the people of the Kingdom and the world."

King Abdullah bin Abdulaziz Al Saud, 1924 – 2015

Contact Us

  • +966 (12) 808 4340
  • Iman.roqan@kaust.edu.sa
  • 4700 King Abdullah University of Science and Technology

    Building 3, Level 3

    Thuwal 23955-6900

    Kingdom of Saudi Arabia

Quick links

  • Join us
  • Contact us

© King Abdullah University of Science and Technology. All rights reserved

Privacy Policy
Terms of Use
Loading...