TITLE

Ferromagnetism of undoped GaN mediated by through-bond spin polarization between nitrogen dangling bonds

AUTHOR(S)
Jin, Hao; Dai, Ying; Huang, BaiBiao; Whangbo, M.-H.
PUB. DATE
April 2009
SOURCE
Applied Physics Letters;4/20/2009, Vol. 94 Issue 16, p162505
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Room-temperature ferromagnetism occurs in GaN nanoparticles even without any doped magnetic ions. The cause for this finding was examined by performing density functional calculations for the bulk GaN and the nonpolar surface of GaN with Ga- and N-vacancies. Our work indicates that the room-temperature ferromagnetism of undoped GaN nanoparticles originates from the nitrogen dangling bonds associated with the surface Ga-vacancies. The spins of the nitrogen dangling bonds couple ferromagnetically by through-bond spin polarization, and this ferromagnetic coupling is effective even when the vacancy separation is as long as ∼8 Å.
ACCESSION #
38225288

 

Related Articles

  • Ferromagnetism in Mg-doped AlN from ab initio study. Wu, R. Q.; Peng, G. W.; Liu, L.; Feng, Y. P.; Huang, Z. G.; Wu, Q. Y. // Applied Physics Letters;10/2/2006, Vol. 89 Issue 14, p142501 

    Ab initio calculations based on spin density functional theory were carried out to investigate Mg-doped AlN as a possible dilute magnetic semiconductor. It was found that both Al vacancy and substitutional Mg impurity in AlN lead to spin-polarized ground states. However, sufficient Al vacancy...

  • Subtle interplay between native point defects and magnetism in ZnO:Co. Assadi, M. H. N.; Zhang, Y. B.; Li, S. // Applied Physics Letters;8/17/2009, Vol. 95 Issue 7, p072503 

    Distribution of Co ions and its effect on magnetic properties of ZnO:Co in the presence of native point defects, oxygen vacancy, and interstitial hydrogen, have been investigated using first-principles density functional calculations. The study provides a fundamental theoretical understanding on...

  • Polarization consistent basis sets. IV. The basis set convergence of equilibrium geometries, harmonic vibrational frequencies, and intensities. Jensen, Frank // Journal of Chemical Physics;2/8/2003, Vol. 118 Issue 6, p2459 

    The basis set convergence of geometries, vibrational frequencies, and associated infrared intensities is investigated for density-functional methods. The recently proposed polarization consistent basis sets give an exponential convergence to the basis set limit, with each step up in quality...

  • First principle prediction of half metallic ferromagnetism in Heusler NiMnZ (Z = P,Ge) compounds. Singh, Mukhtiyar; Singh, Hardev; Kashyap, Manish K. // AIP Conference Proceedings;12/12/2011, Vol. 1393 Issue 1, p165 

    We present first principle calculations of electronic and magnetic properties of NiMnZ (Z = P,Ge) semi Heusler compounds using full potential linearized augmented plane wave (FPLAPW) method based on density functional theory (DFT). To specify the exchange and correlation (XC) effects, the...

  • Structural and Electronic Properties of BiXO3 (X = Mn, Fe, Cr). Bensaid, Djillali; Benkhettou, Nour-Eddine; Kourdassi, Ali // Journal of Modern Physics (21531196);Jul2011, Vol. 2 Issue 7, p642 

    The candidate multiferroic BiCrO3 and its chemical neighbors BiMnO3 and BiFeO3 are known to be ferro-magnetic and ferroelectric respectively. With structural distortions driven by the strongly polarizable Bi ions, we present results of the first-principles density functional calculations using...

  • Half-metallic ferromagnetism in MgS0.875X0.125 (X = C, Si, Ge and Sn): A first principle approach. Yogeswari, M.; Umamaheswari, R.; Kalpana, G. // AIP Conference Proceedings;6/5/2012, Vol. 1447 Issue 1, p1197 

    The possibility of half-metallic ferromagnetism in MgS doped with 12.5% concentration of C, Si, Ge and Sn was carried out by means of full-potential linearized augmented plane wave (FP-LAPW) method. The Generalized Gradient Approximation (GGA) and Local Spin Density Approximation (LSDA) were...

  • Tunneling interlayer exchange coupling between oxide ferrimagnets: Analysis for Fe3O4/vac/Fe3O4 case. Han-Chun Wu; Mryasov, O. N.; Radican, K.; Shvets, I. V. // Applied Physics Letters;6/29/2009, Vol. 94 Issue 26, p262506 

    We have investigated tunneling interlayer exchange coupling (TIEC) between ferrimagnetic Fe3O4 films via a tunneling barrier. In this investigation we employ ab initio density functional theory to study a generic tunneling junction incorporating ferrimagnets Fe3O4/vac/Fe3O4. In contrast with...

  • Electronic Structure And Magnetic Properties Of Rhombohedral Cr2S3. Sharma, Yamini; Srivastava, Pankaj // AIP Conference Proceedings;6/30/2011, Vol. 1347 Issue 1, p123 

    The energy bands, density of states and Compton profile of Cr2S3 have been computed using band structure methods namely linear combination of atomic orbitals with density functional theory as well as by spin polarized relativistic Kronig-Kramer-Rostokar method. To analyze the theoretical data on...

  • Magnetic Properties of Transition Metal-Doped CdSe. Zarhri, Z.; Abbassi, A.; Ez-Zahraouy, H.; El Amraoui, Y.; Benyoussef, A.; Kenz, A. // Journal of Superconductivity & Novel Magnetism;Jul2015, Vol. 28 Issue 7, p2155 

    In this paper, the electronic, structural, and magnetic properties of transition metal (TM) (V, Cr, Mn, Fe, Co, Ni, Cu)-doped CdSe are investigated using first-principles calculations within the density functional theory (DFT) and the local density approximation (LDA) in connection with the...

Share

Read the Article

Courtesy of VIRGINIA BEACH PUBLIC LIBRARY AND SYSTEM

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics