Electronic and magnetic properties of Cu- and Ag-doped aluminium nitrides: An ab initio study

References

• T. Kato, I. Nagai, T. Miura, H. Kamata, K. Naoe, K. Sanada and H. Okumura: ‘AlN bulk crystal growth by sublimation method’, Phys. Status Solidi C, 2010, 7, 1775–1777.
   Google Scholar
• I. Nagai, T. Kato, T. Miura, H. Kamata, K. Naoe, K. Sanada and H. Okumura: ‘AlN bulk single crystal growth on 6H-SiC substrates by sublimation method’, J. Cryst. Growth, 2010, 32, 2699–2704.
   Web of Science ®Google Scholar
• P. Lu, R. Collazo, R. F. Dalmau, G. Durkaya, N. Dietz, B. Raghothamachar, M. Dudley and Z. Sitar: ‘Seeded growth of AlN bulk crystals in m- and c-orientation’, J. Cryst. Growth, 2009, 312, 58–63.
   Web of Science ®Google Scholar
• F. L. Zheng, J. M. Zhang, Y. Zhang and V. Ji: ‘First-principles study of the perfect and vacancy defect AlN nanoribbon’, Physica B, 2010, 405, 3775–3781.
   Web of Science ®Google Scholar
• S. Saib, N. Bouarissa, P. Rodríguez-Hernández and A. Muñoz: ‘First-principles study of high-pressure phonon dispersions of wurtzite, zinc-blende, and rocksalt AlN’, J. Appl. Phys., 2008, 103, 013506.
   Web of Science ®Google Scholar
• H. L. Wu, R. S. Zheng and Y. Guo: ‘Structural and optical properties of C–Si codoped p-type and intrinsic AlN crystal’, Mater. Res. Innov., 2014, 18, 764–767.
   Google Scholar
• L. Silvestri , K. Dunn , S. Prawer and F. Ladouceur: ‘Concentration of point defects in wurtzite AlN: a hybrid functional study’, Europhys. Lett., 2012, 98, 36003.
   Google Scholar
• A. Andrei, K. Krupa, M. Jozwik, P. Delobelle, L. Hirsinger, C. Gorecki, L. Nieradko and C. Meunier: ‘AlN as an actuation material for MEMS application the case of AlN driven multilayered cantilevers’, Sens. Actuators A, Phys., 2008, 141, 565–576.
   Web of Science ®Google Scholar
• H. Nakashima, M. Yonekura, H. Wakabayashi and M. Kominami: ‘Application of silver-dispersed AlN thin film to solar control glass’, J. Appl. Phys., 84, 6285–6290.
   Web of Science ®Google Scholar
• Y. Taniyasu and M. Kasu: ‘Surface 210 nm light emission from an AlN p–n junction light-emitting diode enhanced by A-plane growth orientation’, Appl. Phys. Lett., 2010, 96, 221110.
   Web of Science ®Google Scholar
• K. Sato, L. Bergqvist, J. Kudrnovský, P. H. Dederichs, O. Eriksson, I. Turek, B. Sanyal, G. Bouzerar, H. Katayama-Yoshida, V. A. Dinh, T. Fukushima, H. Kizaki and R. Zeller: ‘First-principles theory of dilute magnetic semiconductors’, Rev. Mod. Phys., 2010, 82, 1633–1690.
   Web of Science ®Google Scholar
• B. Amin, S. Arif, I. Ahmad, M. Maqbool, R. Ahmad, S. Goumri-Said and K. Prisbrey: ‘Cr-Doped III–V nitrides: potential candidates for spintronics’, J. Electron. Mater., 2011, 40, 1428–1436.
   Web of Science ®Google Scholar
• D. Kumar, J. Antifakos, M. G. Blamire and Z. H. Barber: ‘High Curie temperatures in ferromagnetic Cr-doped AlN thin films’, Appl. Phys. Lett., 2004, 84, 5004.
   Web of Science ®Google Scholar
• V. Sharma, P. Manchanda, P. K. Sahota, R. Skomski and A. Kashyap: ‘Interatomic exchange in Mn-doped III–V semiconductors’, J. Magn. Magn. Mater., 2012, 324, 786–791.
   Web of Science ®Google Scholar
• B. Doumi, A. Tadjer, F. Dahmane and D. Mesri: ‘Investigations of structural, electronic, and half-metallic ferromagnetic properties in (Al, Ga, In)1 − xMxN (M = Fe, Mn) diluted magnetic semiconductors’, J. Supercond. Nov. Magn., 2013, 26, 515–525.
   Web of Science ®Google Scholar
• J. M. Zhang, H. H. Li, Y. Zhang and K. W. Xu: ‘Structural, electronic and magnetic properties of the 3d transition-metal-doped AlN nanotubes’, Physica E, 2011, 43, 1249–1254.
   Google Scholar
• Z. K. Tang, L. L. Wang, L. M. Tang, X. F. Li, W. Z. Xiao and L. Xu: ‘Ferromagnetic coupling in Mg-doped passivated AlN nanowires: a first-principles study’, Phys. Status Solidi B, 2012, 249, 185–189.
   Google Scholar
• K. Li, X. B. Du, Y. Yan, H. X. Wang, Q. Zhan and H. M. Jin: ‘First-principles study on ferromagnetism in C-doped AlN’, Phys. Lett. A, 2010, 374, 3671–3675.
   Web of Science ®Google Scholar
• Y. Zhang: ‘Possible room temperature ferromagnetism in Ca-doped AlP: first-principles study’, J. Magn. Magn. Mater., 2013, 342, 35–37.
   Web of Science ®Google Scholar
• G. L. Chai, C. S. Lin, J. Y. Wang, M. Y. Zhang, J. Wei and W. D. Cheng: ‘Density functional theory simulations of structures and properties for Ag-Doped ZnO nanotubes’, J. Phys. Chem. C, 2011, 115, 2907–2913.
   Web of Science ®Google Scholar
• C. W. Zhang and S. S. Yan: ‘First-principles prediction of half-metallic ferromagnetism in Cu-doped ZnS’, J. Appl. Phys., 2010, 107, 043913.
   Web of Science ®Google Scholar
• A. Y. Li, X. D. Li, Q. B. Lin, S. Q. Wu and Z. Z. Zhu: ‘Half-metallic ferromagnetism in Ag-doped ZnO: an ab initio study’, Solid State Sci., 2012, 14, 769–772.
   Web of Science ®Google Scholar
• L. H. Ye, A. J. Freeman and B. Delley: ‘Half-metallic ferromagnetism in Cu-doped ZnO: density functional calculations’, Phys. Rev. B, 2006, 73, 033203.
   Web of Science ®Google Scholar
• H. K. Seong, J. Y. Kim, J. J. Kim, S. C. Lee and S. R. Kim: ‘Room-temperature ferromagnetism in Cu doped GaN nanowires’, Nano Lett., 2007, 7, 3366–3371.
   PubMed Web of Science ®Google Scholar
• S. M. C. Miranda, P. Kessler, J. G. Correia, R. Vianden, K. Johnston, E. Alves and K. Lorenz: ‘Ion implantation of Cd and Ag into AlN and GaN’, Phys. Status Solidi C, 2012, 9, 1060–1064.
   Google Scholar
• G. M. Matenoglou, H. Zoubos, A. Lotsari, Ch. E. Lekka, Ph. Komninou, G. P. Dimitrakopulos, C. Kosmidis, G. A. Evangelakis and P. Patsalas: ‘Metal-containing amorphous carbon (a-C:Ag) and AlN (AlN:Ag) metallo-dielectric nanocomposites’, Thin Solid Films, 2009, 518, 1508–1511.
   Web of Science ®Google Scholar
• A. Siozios, D. C. Koutsogeorgis, E. Lidorikis, G. P. Dimitrakopulos, Th. Kehagias, H. Zoubos, Ph. Komninou, W. M. Cranton, C. Kosmidis and P. Patsalas: ‘Optical encoding by plasmon-based patterning: hard and inorganic materials become photosensitive’, Nano Lett., 2012, 12, 259–263.
   PubMed Web of Science ®Google Scholar
• W. Jia, P. Han, M. Chi, S. H. Dang, B. S. Xu and X. G. Liu: ‘Electronic structure and ferromagnetic properties of Cu-doped AlN from first principles’, J. Appl. Phys., 2007, 101, 113918.
   PubMed Web of Science ®Google Scholar
• F. Y. Ran, M. Subramanian, M. Tanemura, Y. Hayashi and T. Hihara: ‘Ferromagnetism in Cu-doped AlN films’, Appl. Phys. Lett., 2009, 95, 112111.
   Web of Science ®Google Scholar
• Ch. E. Lekka, P. Patsalas, Ph. Komninou and G. A. Evangelakis: ‘Electronic properties and bonding characteristics of AlN:Ag thin film nanocomposites’, J. Appl. Phys., 2011, 109, 054310.
   Web of Science ®Google Scholar
• A. González-García, W. López-Pérez and R. González-Hernández: ‘Theoretical study of magnetic ordering and electronic properties of AgxAl1−xN compounds’, Solid State Commun., 2011, 151, 1794–1797.
   Web of Science ®Google Scholar
• K. Schwarz: ‘DFT calculations of solids with LAPW and WIEN2 k’, J. Solid State Chem., 2003, 176, 319–328.
   Web of Science ®Google Scholar
• P. Ziesche, S. Kurth and J. P. Perdew: ‘Density functionals from LDA to GGA’, Comput. Mater. Sci., 1998, 11, 122–127.
   Web of Science ®Google Scholar
• P. E. Blochl, O. Jepsen and O. K. Andersen: ‘Improved tetrahedron method for Brillouin-zone integrations’, Phys. Rev. B, 1993, 49, 16223–16233.
   Web of Science ®Google Scholar
• J. Li, K. B. Nam, M. L. Nakarmi, J. Y. Lin, H. X. Jiang, P. Carrier and S. H. Wei: ‘Band structure and fundamental optical transitions in wurtzite AlN’, Appl. Phys. Lett., 2003, 83, 5163.
   PubMed Web of Science ®Google Scholar
• R. Q. Wu, G. W. Peng, L. Liu, Y. P. Feng, Z. G. Huang and Q. Y. Wu: ‘Ferromagnetism in Mg-doped AlN from ab initio study’, Appl. Phys. Lett., 2006, 89, 142501.
   Web of Science ®Google Scholar