International Journal of
Physical Sciences

  • Abbreviation: Int. J. Phys. Sci.
  • Language: English
  • ISSN: 1992-1950
  • DOI: 10.5897/IJPS
  • Start Year: 2006
  • Published Articles: 2572

Full Length Research Paper

Ab-initio calculations of magnetic behavior in wurtzite AlxV1-xN compound

Miguel J. R. Espitia
  • Miguel J. R. Espitia
  • Grupo GEFEM, Universidad Distrital Francisco José de Caldas, Bogotá, Colombia.
  • Google Scholar
John H. F. Díaz
  • John H. F. Díaz
  • Grupo GEFEM, Universidad Distrital Francisco José de Caldas, Bogotá, Colombia.
  • Google Scholar
César O. López
  • César O. López
  • Grupo Avanzado de Materiales y Sistemas Complejos GAMASCO, Departamento de Física, Universidad de Córdoba, Montería Colombia.
  • Google Scholar


  •  Received: 25 August 2015
  •  Accepted: 08 September 2015
  •  Published: 16 September 2015

References

Beheshtian J, Baei MT, Bagheri Z, Peyghan AA (2012). AlN nanotube as a potential electronic sensor for nitrogen dioxide. Microelectron. J. 43(7):452-455.
Crossref
 
Boukra A, Zaoui A, Ferhat M (2010). Magnetic trends in GaxMn1−xN, AlxMn1−xN, and InxMn1−xN ternary systems: A first-principles study. J. Appl. Phys. 108:123904.
Crossref
 
Carcia PF, French RH, Reilly ML, Lemon MF, Jones DJ (1997). Optical superlattices a strategy for designing phase-shift masks for photolithography at 248 and 193 nm: Application to AlN/CrN. Appl. Phys. Lett. 70:2371.
Crossref
 
Carcia PF, French RH, Sharp K, Meth JS, Smith BW (1996). Materials screening for attenuating embedded phase-shift photoblanks for DUV and 193-nm photolithography. Proc. SPIE-Int. Soc. Opt. Eng.
Crossref
 
Dridi Z, Lazreg A, Bouhafs B (2011). First-principles study of electronic structure and magnetism of cubic Al1−xErxN using the LSDA+U approach. J. Magn. Magn. Mater. 323(9):1174-1178.
Crossref
 
Frazier RM, Stepleton J, Thaler GT, Abernathy CR, Pearton SL, Rairigh R, Kelly J, Hebard AF, Nakarmi ML, Nam KB, Lin JY, Jiang HX, Zavada JM, Wilson RG (2003). Properties of Co-, Cr-, or Mn-implanted AlN. J. Appl. Phys. 94(3):1592.
Crossref
 
Giannozzi P, Baroni S, Bonin N (2009). QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys. Condens. Matter 21(39):395502.
Crossref
 
Gonzalez N, Majewski JA, Dietl T (2011). Aggregation and magnetism of Cr, Mn, and Fe cations in GaN. Phys. Rev. B 83:184417.
Crossref
 
González R, López W, Rodríguez J (2007). AB initio studies of the structural and electronics properties of vanadium nitride. J. Cienciae Ingeniería Neogranadina 17(1):23-33. 
 
Jonnard P, Capron N, Semond F, Massies J, Martinez-Guerrero E, Mariette H (2004). Electronic structure of wurtzite and zinc-blende AlN. Eur. Phys. J. B 42(3):351-359.
Crossref
 
Katayama H, Sato K (2003). Spin and charge control method of ternary II-VI and III-Vmagnetic semiconductors for spintronics: theory vs. esperiment. J. Phys. Chem. Sol. 64:1447-1452-544. 
 
Laasonen K, Pasquarello A, Car R, Lee C, Vanderbilt D (1993). Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials. Phys. Rev. B. 47:10142.
Crossref
 
Lei WW, Liu D, Zhu PW, Chen XH, Zhao Q, Wen GH, Cui QL, Zou GT (2009). Ferromagnetic Sc-doped AlN sixfold-symmetrical hierarchical nanostructures. Appl. Phys. Lett. 95:162501.
Crossref
 
Monkhorst HJ, Pack JD, (1976). Special points for Brillouin-zone integrations. Phys. Rev. B. 13(12):5188-5192.
Crossref
 
Murnaghan FD (1944). The compressibility of media under pressure. Proceedings of the National Academy Science U.S.A. 30(9):244-247.
Crossref
 
Nakamura S, Senoh M, Nagahama S, Iwasa N, Yamada T, Matsushita T, Sugimoto Y, Kikoyu J (1997). High-Power, Long-Lifetime InGaN Multi-Quantum-Well-Structure Laser Diodes. Jpn. J. Appl. Phys. 36(8B):L1059.
Crossref
 
Perdew J, Burke K, Ernzerhof M (1997). Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 77(18):3865-3868.
Crossref
 
Schulz H, Thieman KH (1977). Crystal structure refinement of AlN and GaN. Solid State Communication 23(11):815-819. 
 
Sheng SH, Zhang RF, Veprek S (2008). Phase stabilities and thermal decomposition in the Zr1-xAlxN system studied by ab initio calculation and thermodynamic modeling. Acta Materialia 56(5):968-976.
Crossref
 
Vanderbilt D (1990). Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys. Rev. B. 41:7892(R).
Crossref
 
Vargas C, Espitia-Rico M, Báez Cruz R (2015). Half-metallic ferromagnetism of ZnxMn1-xO compounds: A first-principles study. Comput. Condens. Matter 4:1-5.
Crossref
 
Warner JM, Bechstedt F (2002). Properties of strained wurtzite GaN and AlN: Ab initio studies. Phys. Rev. B 66:115202.
Crossref
 
Wu QY, Huang ZQ, Wu R, Chen LJ (2007). Cu-doped AlN: a dilute magnetic semiconductor free of magnetic cations from first-principles study. J. Phys. Condens. Matter 19(5):056209.
Crossref
 
Wu RQ, Peng GW, Liu L, Feng YP, Huang ZG, Wu QY (2006). Ferromagnetism in Mg-doped AlN from ab initio study. Appl. Phys. Lett. 89:142501.
Crossref
 
Wu SY, Liu HX, Gu L, Singh RK, Budd L, Schilfgaarde M, McCartney MR, Smith DJ, Newman N (2003). Synthesis, characterization and modeling of high quality ferromagnetic Cr-doped AlN thin films. Appl. Phys. Lett. 82:3047. 
 
Yang Y, Zhao Q, Zhang XZ, Liu ZG, Zou CX, Shen B, Yu DP (2007). Mn-doped AlN nanowires with room temperature ferromagnetic ordering. Appl. Phys. Lett. 90:092118.
Crossref
 
Zhang RF, Veprek S (2007). Phase stabilities and spinodal decomposition in the Cr1-xAlxN system studied by ab initio LDA and thermodynamic modeling: Comparison with the Ti1-xAlxN and TiN/Si3N4 systems. Acta Mater. 55(14):4615-4619.
Crossref
 
Zhang Y, Liu W, Liang P, Niu HB (2008). Half-metallic ferromagnetism in Ca-doped AlN from first-principles study. Sol. State Commun. 147(7-8):254-257.
Crossref