1. Kresse, G. From ultrasoft pseudopotentials to the projector augmented-wave method /G. Kresse, D. Joubert // Physical Review. B. - 1999. - Vol. 54. - P. 1758-1775.
2. Kresse, G. Efficiency of ab initio total energy calculations for metals and semiconductors using a plane-wave set / G. Kresse, J. Furthmuller // Comput. Mat. Sci. - 1996. - Vol. 6. - P. 15-50.
3. Durinck, J. Influence of crystal chemistry on ideal plastic shear anisotropy in forsterite: first principle calculations / J. Durinck, A. Legris, P. Cordier // American Mineralogist. - 2005. -Vol. 90. - P. 1072-1077.
4. Nair, N.N. Glycine at the pyrite/water interface: an ab initio metadynamics study / N.N. Nair,E. Schreiner, D. Marx // Proceedings of NIC Symposium 2008. John von Neumann Institute for Computing.- Jülich, Germany, 2008. - Vol. 39. - P. 101-108.
5. Wang, L. Ab initio study of the surface properties and nanoscale effects of LiMnPO4 / L. Wang,F. Zhou, G. Ceder // Electrochemical and Solid-State Letters. - 2008. - Vol. 11. - P. A94-A96.
6. Lei, Y. First principles study of the size effect of TiO2 anatase nanoparticles in dyesensitized solar cell / Y. Lei, H. Liu, W. Xiao // Modell. Simul. Mater. Sci. Eng. - 2010 - Vol. 18. - P. 025004-025011.
7. Double-gate strained-Ge heterostructure tunneling FET (TFET) with record high drive currents and 60mV/dec subthreshold slope / T. Krishnamohan [et al.] // Proceedings of Electron Devices Meeting (IEDM). IEEE International. - San Francisco, USA, 2008. - P. 1-3.
8. Conroy, M. Anisotropic constitutive relationships in energetic materials: PETN and HMX /M. Conroy, I.I. Oleynik, C.T. White // AIP Conf. Proc. - 2007. - Vol. 955. - P. 361-364.
9. Friak, M. Ab initio calculation of tensile strength in iron / M. Friak, M. Sob, V. Vitek // Phil.Mag. - 2003. - Vol. 83. - P. 3529-3537.
10. Tung, J.C. An ab initio study of the magnetic and electronic properties of Fe, Co, and Ni nanowires on Cu(001) surface / J.C. Tung, G.Y. Guo // Computer Physics Communications. - 2011. -Vol. 182(1). - P. 84-86.
11. The rise of graphene / S. Novoselov [et al.] // Nature Mater. - 2007. - Vol. 6. - P.183-191.
12. Nelayev, V. Magnetism of graphene with vacancy clusters / V. Nelayev, A. Mironchik //Mater. Phys. Mech. - 2010. - Vol. 9. - P.26-34.
13. Isaeva, A.A. Sozdanie novykh materialov dlya mikro- i nanoelektroniki na osnove nanoblochnykh smeshannykh khal'kogenidov perekhodnykh (Ni, Fe)-neperekhodnykh metallov /A.A. Isaeva, A.N. Kuznetsov // Mezhdunarodnyi forum po nanotekhnologiyam Rusnanotech. - M.,2008. - S. 322-324.
14. Single-layer MoS2 transistors / B. Radisavljevic [et al.] // Nature Nanotechnology. - 2011. -Vol. 6. - P. 147-150.
15. Lebegue, S. Electronic structure of two-dimensional crystals from ab initio theory /S. Lebegue, O. Ericsson // Physical Review. B. - 2009. - Vol. 79. - P. 115409-115412.
16. Fabrication of inorganic molybdenum disulfide fullerenes by arc in water / N. Sano [et al.] //Chemical Physics Letters. - 2003. - Vol. 368. - P. 331-337.
17. An alternative route to molybdenum disulfide nanotubes / W-K Hsu [et al.] // American Chemical Society. - 2000. - Vol. 122. - P. 10155-10158.
18. Lithium dynamics in molybdenum disulfide intercalation compounds studied by nuclear magnetic resonance / J.P. Donoso // Brazilian Journal of Physics. - 2006. - Vol. 36 (1A) - P. 55-60.
19. Schoenfeld, B. Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 / B. Schoenfeld, J.J. Huang, S.C. Moss // Acta Cryst. B. - 1983. - Vol. 39. - P. 404-407.
20. Y2O3 and MoS2 electronic properties simulation / A. Gulay [et al.] // Proceedings of MEMSTECH’ 2011. - Polyana, Ukraine, 2011. - P. 111-113.
21. VASP the GUIDE [Elektronnyi resurs] / G. Kresse, J. Furthmuller // University of Vienna.- 2007. - P. 40. - Mode of access : http://wolf.ifj.edu.pl./workshop/work2008/tutorial/vasp.rdf. - Date of access : 12.01.2013.
Email this article 