Publications

Book chapters

• Defects in Germanium: theoretical aspects, A. Carvalho, J. Coutinho and R. Jones, In: Germanium: Properties, Production and Applications, edited by Regina V. Germanno (2011, Nova Science Publishers) pp. 1-73, ISBN 978-1-61209-205-8

Peer-reviewed journals

• Electronic structure modification of Si nanocrystals with F(4)-TCNQ,
  A. Carvalho, J. Coutinho, M. Barroso, S. Öberg and P. R. Briddon,
  Phys. Rev. B 84, 5437 (2011). full text

• Surface-phosphorus interaction in Si nanocrystals A. Carvalho, B. Celikkol, J. Coutinho and P. R. Briddon J. Phys.: Conf. Ser. 281 012027 (2011) full text

• The oxygen dimer in Si: Its relationship to the light-induced degradation of Si solar cells? L. I. Murin, E. A. Tolkacheva, V. P. Markevich, A. R. Peaker, B. Hamilton, E. Monakhov, B. G. Svensson, J. L. Lindström, P. Santos, J. Coutinho, and A. Carvalho Appl. Phys. Lett. 98, 1 (2011) full text

• Electronic structure of Zn, Cu and Ni impurities in germanium,
  E L Silva, J Coutinho, A Carvalho, V J B Torres, M Barroso, R Jones and P R Briddon, J. Phys.: Condens. Matter 23 065802 (2011). full text

• Tin-vacancy complex in germanium V. P. Markevich, A. R. Peaker, B. Hamilton, V. V. Litvinov, Yu. M. Pokotilo, S. B. Lastovskii, J. Coutinho, A. Carvalho, M. J. Rayson, and P. R. Briddon
  J. Appl. Phys. 109, 083705 (2011). full text

• Four-copper complexes in Si and the Cu-photoluminescence defect: A first-principles study,
  A. Carvalho, D. J. Backlund and S. K. Estreicher, Phys. Rev. B 84, 155322 (2011). full text

• Influence of Ge content on the optical properties of X and W centers in dilute Si-Ge alloys,
  J. P. Leitão, A. Carvalho, J. Coutinho, R. N. Pereira, N. M. Santos, A. O. Ankiewicz, N. A. Sobolev, M. Barroso, J. Lundsgaard Hansen, A. Nylandsted Larsen, and P. R. Briddon, Phys. Rev. B 84, 165211 (2011). full text

• Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate J. Wang, K. Schenk, A. Carvalho, B. Wylie-van Eerd, J. Trodahl, C. S. Sandu, M. Bonin, I. Gregora, Z. He, T. Yamada, H. Funakubo, P. R. Briddon, and N. Setter Chem. Mater. 23, 2529 (2011) full text

• Electronic structure of Zn, Cu and Ni impurities in germanium E. L. Silva, J. Coutinho, A. Carvalho, V. J. B. Torres, M. Barroso, R. Jones and P. R. Briddon, J. Phys.: Condens. Matter 23 065802 doi: 10.1088/0953-8984/23/6/065802

• Intrinsic defect complexes in CdTe and ZnTe A. Carvalho, S. Öberg and P.R. Briddon Thin Solid Films 519, 7468 (2011). full text

• Adsorbate-localized states at water-covered (100) SrTiO(3) surfaces,
  S. Raghavan, A. Carvalho, F. Le Formal, N. Setter, S. Öberg, and P. R. Briddon Appl. Phys. Lett. 98, 012106 (2011) full text

• Electronic structural details of donor–vacancy complexes in Si-doped Ge and Ge-doped Si J. Coutinho, F. Castro, V.J.B. Torres, A. Carvalho, M. Barroso, P.R. Briddon, Thin Solid Films, 518, 2381-2385 (2010)

• Cation-site intrinsic defects in Zn-doped CdTe, A. Carvalho, A. Tagantsev, S. "Oberg, P.R. Briddon and N. Setter, Phys. Rev. B 81, 075215 (2010)
• A hybrid density functional study of lithium in ZnO: Stability, ionization levels, and diffusion A. Carvalho, A. Alkauskas, A. Pasquarello, A. K. Tagantsev and N. Setter, Phys. Rev. B 80, 195205 (2009)

• Cation-site intrinsic defects in Zn-doped CdTe A. Carvalho, A. Tagantsev, S. "Oberg, P.R. Briddon and N. Setter
  Phys. Rev. B 81, 075215 (2010)
  full text

• Electronic structural details of donor-vacancy complexes in Si-doped Ge and Ge-doped Si, J. Coutinho, F. Castro, V. J. B. Torres, A. Carvalho, M. Barroso, P. R. Briddon
  Thin Solid Films 518, 2381 (2010). full text

• A hybrid density functional study of lithium in ZnO: Stability, ionization levels, and diffusion , A. Carvalho, A. Alkauskas, A. Pasquarello, A. K. Tagantsev and N. Setter
  Phys. Rev. B 80, 195205 (2009)
  full text

• Intrinsic defects in CdTe and CdZnTe alloys A. Carvalho, A. Tagantsev, S. "Oberg, P.R. Briddon and N. Setter,
  Physica B 404, 5019 (2009)
  full text

• Li-related defects in ZnO: Hybrid functional calculations A. Carvalho, A. Alkauskas, A. Pasquarello, A. Tagantsev, and N. Setter
  Physica B 404, 4797 (2009)
  full text

• First-principles study of Fe and FeAl defects in SiGe alloys A. Carvalho, J. Coutinho, R. Jones, J. Goss, M. Barroso, and P. R. Briddon
  Phys. Rev. B 78, 125208 (2008)
  full text

• The self-interstitial in germanium, R. Jones, A. Carvalho, J.P. Goss, P.R. Briddon, Materials Science and Engineering B 159-160, 112 (2009).
  full text

• Complexes of self-interstitials with oxygen atoms in germanium L.I. Khirunenko, Yu.V. Pomozov, M. Sosnin, V.P. Markevich, L.I. Murin, V.V. Litvinov, A. Carvalho, R. Jones, J. Coutinho, Sven Öberg, P. R. Briddon, Materials Science in Semiconductor Processing 11, 332 (2008)
  full text

• Density-functional theory study of Au, Ag and Cu defects in germanium A. Carvalho, J. Coutinho, R. Jones, E. Silva, S. Öberg, P.R. Briddon
  Materials Science in Semiconductor Processing 11, 340 (2008)
  full text

• Density-functional theory study of interstitial iron and its complexes with B and Al in dilute SiGe alloys A. Carvalho, J. Coutinho, R. Jones, J. Goss, M. Barroso, and P. R. Briddon
  Materials Science in Semiconductor Processing 11, 332 (2008)
  full text

• First-principles study of the diffusion mechanisms of the self-interstitial in germanium, A. Carvalho, R. Jones, J. P. Goss, C. Janke, S. |"Oberg and P R Briddon, J. Phys.: Condens. Matter 20, 135220 (2008) full text

• Limits to n-type doping in Ge: Formation of donor-vacancy complexes, J. Coutinho, C. Janke, A. Carvalho, Sven Öberg, Vitor J.B. Torres, R. Jones, Patrick R. Briddon, Diffusion in Solids and Liquids III 273-276, 93 (2008)
  full text

• The self-interstitial in germanium, A. Carvalho, R. Jones, C. Janke, J.P. Goss, P.R. Briddon, J. Coutinho and S. Öberg, Phys. Rev. Lett. 99, 175502 (2007).
  full text

• Local density functional calculations on the vacancy-oxygen center in Ge, A. Carvalho, R. Jones, J. Coutinho, V.J.B. Torres, S. Öberg, J.M. Campanera Alsina, M. Shaw and P.R. Briddon, Phys. Rev. B 75, 115206 (2007)
  full text

• Identification of the local vibrational modes of small A. Carvalho, R. Jones, S.J. Barker, R.S. Williams, M.J. Ashwin, R.C. Newman, P.N. Stavrinou, G. Parry, T.S. Jones, S. Öberg and P.R. Briddon, nitrogen clusters in dilute GaAsN Physica B 401-402,339 (2007)
  full text

• Identification of stable and metastable forms of VO$_2$ centers, A. Carvalho, V.J.B. Torres, V.P. Markevich, J. Coutinho, V.V. Litvinov, A.R. Peaker, R. Jones and P.R. Briddon, Physica B 401-402, 192 (2007)
  full text

• Self-interstitials and Frenkel pairs in electron-irradiated A. Carvalho, R. Jones, J. Goss, C. Janke, J. Coutinho, S. Öberd and P.R. Briddon, germanium
  Physica B 401-402, 495 (2007)
  full text

• Early stage donor-vacancy clusters in germanium, J. Coutinho, V. J. B. Torres, A. Carvalho, R. Jones, S. Öberg, and P. R. Briddon, Journal of Materials Science-Materials in Electronics 18, 769 (2007)
  full text

• Strong compensation of n-type Ge via formation of donor-vacancy complexes, J. Coutinho, V. J. B. Torres, A. Carvalho, R. Jones, S. Öberg, and P. R. Briddon, Physica B 401, 179 (2007)
  full text

• Ab initio modeling of defect levels in Ge clusters and supercells, J. Coutinho, V. J. B. Torres, A. Carvalho, R. Jones, S. Öberg, and P. R. Briddon, Materials Science in Semiconductor Processing 9, 477 (2006)
  full text

• Calculation of deep carrier traps in a divacancy in germanium crystals, J. Coutinho, V. J. B. Torres, R. Jones, A. Carvalho, S. Öberg, and P. R. Briddon, Appl. Phys. Lett. 88, 091919 (2006)
  full text

• First-principles investigation of a bistable boron-oxygen interstitial pair in Si, A. Carvalho, R. Jones, M. Sanati, S.K. Estreicher, J. Coutinho and P.R. Briddon, Phys. Rev. B 73, 245210 (2006)
  full text

• Oxygen defects in irradiated germanium, A. Carvalho, R. Jones, V.J.B. Torres, J. Coutinho, V. Markevich, S. Öberg and P.R. Briddon, Journal of Materials Science: Materials in Electronics 18 781 (2007)
  full text

• Density-functional study of small interstitial clusters in Si: Comparison with experiments,
  A. Carvalho, R. Jones, J. Coutinho, V. J. B. Torres and P. R. Briddon, Phys. Rev. B 72, 155208 (2005). full text

• Ab-initio calculation of the local vibrational modes of the interstitial boron-interstitial oxygen defect in Si,
  A. Carvalho, R. Jones, J. Coutinho and P. R. Briddon, J. Phys: Condens. Matter 17, L155 (2005) full text

Other publications in indexed journals

• Primary defects in n-type irradiated germanium: A. Carvalho, R. Jones, C. Janke, S. Öberg and P. R. Briddon, a first-principles investigation, Solid State Phenomena 131-133, 253 (2008).
  full text

• Studies of the VO centre in Ge using first principles A. Carvalho, R. Jones, J. Coutinho, M. Shaw, V. J. B. Torres, S. Öberg and P. R. Briddon, cluster calculations Materials Science in Semiconductor Processing 9, 489 (2006 )
  full text

• Ab-initio studies of local vibrations of small self-interstitial aggregates in silicon, A. Carvalho, R. Jones, J. Coutinho, V. J. B. Torres and P. R. Briddon, Solid State Phenomena 108-109, 175 (2005) full text

• Theoretical investigations of the energy levels of defects in germanium, R. Jones, A. Carvalho, J. Coutinho, V. J. B. Torres, S. Öberg and P. R. Briddon, Solid State Phenomena 108-109, 175 (2005) full text