ANNUAL REPORT - MTA SzFKI

C.2.
C.3.
Kádas K, Vitos L, Johansson * B, Kollár J; Structural stability of β-beryllium; Phys
Rev B; 75, 035132(8), 2007
Landa * A, Söderlind * P, Vitos L; Density-functional calculations of α-Pu-Ga(Al)
alloys; J Alloys and Compounds; 444-445, 296-299, 2007
C.4. Zander * J, Sandström * R, Vitos L; Modeling mechanical properties for nonhardenable
aluminium alloys; Computational Materials Science; 41, 86-95, 2007
C.5.
C.6.
Kissavos * AE, Vitos L, and Abrikosov * IA; The energy dependence of the Exact
Muffin-Tin Orbitals structure constants; Phys Rev B; 75, 115117/1-11, 2007
Koci * L, Vitos L, and Ahuja * R; Ab initio calculations of the elastic properties of
ferropericlase Mg 1-x Fe x O (x≤ 0.20); Physics of the Earth and Planetary Interiors;
164, 177-185, 2007
C.7. Dubrovinsky * L, Dubrovinskaia * N, Narygina * O, Kuznetzov * A, Prakapenka * V,
Vitos L, Johansson * B, Mikhaylushkin * AS, Simak * SI, Abrikosov * IA;
Experimental Evidences for Body-Centred-Cubic Phase of Iron-Nickel Alloy in the
Earth's Core; Science; 316, 1880, 2007
C.8. Punkkinen * MPJ, Laukkanen * P, Kokko * K, Ropo * M, Ahola-Tuomi * M,
Väyrynen * IJ, Komsa * HP, Rantala * TT, Pessa * M, Kuzmin * M, Vitos L, Kollár J,
Johansson * B; Surface core-level shifts of the GaAs(100)(2x4) surface; Phys Rev
B; 76, 115334/1-7, 2007
C.9.
Hu * QM, Kádas K, Hogmark * S, Yang * R, Johansson * B, Vitos L; Predicting
hardness of covalent/ionic solid solution from first-principles theory; Applied
Physics Letters; 91, 121918, 2007
C.10. Kokko * K, Ropo * M, Punkkinen * MPJ, Laukkanen * P, Alatalo * M, Vitos L, Kollár
J, Johansson * B; Surface core-level shift of Pd at the Ag c Pd 1-c (111) surface:
nonlinear subsurface effects; Surf Sci; 601, 5419-5423, 2007
C.11. Yang * S, Kertesz * M, Zólyomi V, Kürti * J; Application of a novel
linear/exponential hybrid force field scaling scheme to the longitudinal Raman
active mode of polyyne; J Phys Chem A; 111, 2434, 2007
C.12. Zólyomi V, Simon * F, Rusznyák * A, Pfeiffer * R, Peterlik * H, Kuzmany * H, Kürti *
J; Inhomogeneity of 13C isotope distribution in isotope engineered carbon
nanotubes: Experiment and theory; Phys Rev B; 75, 195419/1-8, 2007
C.13. Zólyomi V, Simon * F, Rusznyák * A, Pfeiffer * R, Peterlik * H, Kuzmany * H, Kürti *
J; The effects of inhomogeneous isotope distribution on the vibrational properties
of isotope enriched double walled carbon nanotubes; physica status solidi (b); 244,
4257, 2007
C.14. Kürti * J, Zólyomi V, Koltai * J, Simon * F, Pfeiffer * R, Kuzmany * H; Curvature
effects in the D * band of small diameter carbon nanotubes; physica status solidi
(b); 244, 4261, 2007
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