Preferences help
enabled [disable] Abstract
Number of results
2016 | 130 | 5 | 1220-1223
Article title

Morphology and Stability of the Diamond/BN (001) and (111) Interfaces Based on Ab Initio Studies

Title variants
Languages of publication
The morphology, charge distribution and energetic stability of interfaces in the diamond/c-BN heteropolar junctions grown along [001] and [111] crystallographic directions are obtained from first principles calculations in the framework of density functional theory. It turns out that there exist reconstructions of the abrupt interfaces of the C and N adjacent layers (C-N type) that induce charge compensation and lead to the stabilization of the interfaces. On the contrary, our studies strongly suggest that analogous reconstructions of the abrupt interfaces of C and B adjacent layers (C-B type) are not energetically favorable and do not stabilize abrupt interfaces.
  • Faculty of Mathematics and Natural Sciences, University of Rzeszów, S. Pigonia 1, 35-959 Rzeszów, Poland
  • Faculty of Mathematics and Natural Sciences, University of Rzeszów, S. Pigonia 1, 35-959 Rzeszów, Poland
  • Faculty of Physics, University of Warsaw, L. Pasteura 5, 02-093 Warszawa, Poland
  • [1] M. Lu, A. Bousetta, A. Bensaoula, K. Waters, J.A. Schultz, Appl. Phys. Lett. 68, 622 (1996), doi: 10.1063/1.116488
  • [2] Z. Liu, L. Ma, G. Shi, W. Zhou, Y. Gong, S. Lei, X. Yang, J. Zhang, J. Yu, K.P. Hackenberg, A. Babakhani, J.-C. Idrobo, R. Vajtai, J. Lou, P.M. Ajayan, Nature Nanotechnol. 8, 119 (2013), doi: 10.1038/nnano.2012.256
  • [3] M.P. Levendorf, Ch.-J. Kim, L. Brown, P.Y. Huang, R.W. Havener, D.A. Muller, J. Park, Nature 488, 627 (2012), doi: 10.1038/nature11408
  • [4] L. Britnell, R.V. Gorbachev, R. Jalil, B.D. Belle, F. Schedin, A. Mishchenko, T. Georgiou, M.I. Katsnelson, L. Eaves, S.V. Morozov, N.M.R. Peres, J. Leist, A.K. Geim, K.S. Novoselov, L.A. Ponomarenko, Science 335, 947 (2012), doi: 10.1126/science.1218461
  • [5] M. Grabowski, M. Sznajder, J.A. Majewski, Acta Phys. Pol. A 129, 138 (2016), doi: 10.12693/APhysPolA.129.A-138
  • [6] F. Boscherini, R. Lantier, A. Rizzi, F. D'Acapito, S. Mobilio, Appl. Phys. Lett. 74, 3308 (1999), doi: 10.1063/1.123327
  • [7] J.N. Stirman, F.A. Ponce, A. Pavlovska, I.S.T. Tsong, D.J. Smith, Appl. Phys. Lett. 76, 822 (2000), doi: 10.1063/1.125596
  • [8] M. Städele, J.A. Majewski, P. Vogl, Phys. Rev. B 56, 6911 (1997), doi: 10.1103/PhysRevB.56.6911
  • [9] M. Sznajder, J.A. Majewski, Acta Phys. Pol. A 124, 772 (2013), doi: 10.12693/APhysPolA.124.772
  • [10] J. Soler, E. Artacho, J.D. Gale, A. Garcia, J. Junquera, P. Ordejón, D. Sanchez-Portal, J. Phys. Condens. Matter 14, 2745 (2002), doi: 10.1088/0953-8984/14/11/302
  • [11] J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996), doi: 10.1103/PhysRevLett.77.3865
  • [12] N. Troullier, J.L. Martins, Phys. Rev. B 43, 1993 (1991), doi: 10.1103/PhysRevB.43.1993
  • [13] Semiconductors: Group IV Elements and III-V Compounds, Ed. O. Madelung, Data in Science and Technology, Springer-Verlag, 1991
  • [14] F. Bechstedt, Principles of Surface Physics, Springer-Verlag, Berlin 2003
Document Type
Publication order reference
YADDA identifier
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.