Publications
Showing entries 601 - 618 out of 618
2005
Spisak D, Hafner J. Diffusion mechanisms for iron on tungsten. In Rantala T, editor, NCSS-5. Selected papers of the Fifth Nordic Conference on Surface Science: Tampere, Finland, 22-25 September 2004. Amsterdam u.a.: Elsevier BV, North-Holland. 2005. p. 55-61. (Surface Science; No. 1, Vol. 584). doi: 10.1016/j.susc.2004.12.037
Jahnatek M, Krajci M, Hafner J. Interatomic bonding, elastic properties, and ideal strength of transition metal aluminides: A case study for Al3(V,Ti). Physical Review B. 2005;71(2):024101. doi: 10.1103/PhysRevB.71.024101
Waitz T, Spisak D, Hafner J, Karnthaler H-P. Size-dependent martensitic transformation path causing atomic-scale twinning of nanocrystalline NiTi shape memory alloys. Europhysics Letters. 2005;71(1):98-103. doi: 10.1209/epl/i2005-10061-y
Spisak D, Hafner J. Theoretical study of iron films on tungsten. In Jiki Gakkai NO, editor, Intermag Asia 2005 : digests of th IEEE International Magnetics Conference : April 4-8, 2005, Nagoya Congress Center, Nagoya, Japan. PIscataway, NJ: IEEE. 2005. p. 385-386 doi: 10.1109/INTMAG.2005.1463621
Reith D, Püschl W, Pfeiler W, Haider F. Vacancy walk and its impact on the character of phase transitions. In Howe JM, editor, Proceedings of an International Conference on Solid→Solid Phase Transformations in Inorganic Materials 2005: held at the Pointe Hilton Resort at Squaw Peak, Phoenix, Arizona, USA, May 29-June 3, 2005. Vol. 2. Warrendale, Pa : TMS. 2005. p. 765-770
2004
Spisak D, Hafner J. Theoretical analysis of ultrathin FCC Fe films on Cu(1 1 1) substrates. Journal of Magnetism and Magnetic Materials. 2004;272-276:1184-1185. doi: 10.1016/j.jmmm.2004.01.006
2003
Demuth T, Rozanska X, Benco L, Hafner J, van Santen RA, Toulhoat H. Catalytic isomerization of 2-pentene in H-ZSM-22 - A DFT investigation. Journal of Catalysis. 2003;214(1):68-77. doi: 10.1016/S0021-9517(02)00074-X
Bucko T, Benco L, Hafner J. Defect sites at the (001) surface of mordenite: An ab initio study. Journal of Chemical Physics. 2003;118(18):8437-8445. doi: 10.1063/1.1565321
2002
Bucko T, Benco L, Demuth T, Hafner J. Ab initio density functional investigation of the (001) surface of mordenite. Journal of Chemical Physics. 2002;117(15):7295-7305. doi: 10.1063/1.1507102
Tunega D, Benco L, Haberhauer G, Gerzabek MH, Lischka H. Ab initio molecular dynamics study of adsorption sites on the (001) surfaces of 1:1 dioctahedral clay minerals. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 2002;106(44):11515-11525.
Spisak D, Hafner J. Shear instability of γ-Fe in bulk and in ultrathin films. Physical Review Letters. 2002;88(5):056101. doi: 10.1103/PhysRevLett.88.056101
2001
Mittendorfer F, Hafner J. A DFT study of the adsorption of thiophene on Ni(1 0 0). Surface Science. 2001;492(1-2):27-33. doi: 10.1016/S0039-6028(01)01424-8
Benco L, Tunega D, Hafner J, Lischka H. Ab initio density functional theory applied to the structure and proton dynamics of clays. Chemical Physics Letters. 2001;333(6):479-484. doi: 10.1016/S0009-2614(00)01412-3
Spisak D, Lorenz R, Hafner J. Ab initio study of hexagonal Fe/Ru multilayers. Journal of Applied Physics. 2001;89(11 II):7080-7082. doi: 10.1063/1.1358826
Demuth T, Benco L, Hafner J, Toulhoat H. Adsorption of water in mordenite - An ab initio study. International Journal of Quantum Chemistry. 2001;84(1):110-116. doi: 10.1002/qua.1312
Benco L, Tunega D, Hafner J, Lischka H. Orientation of OH groups in kaolinite and dickite: Ab initio molecular dynamics study. American Mineralogist: an international journal of earth and planetary materials. 2001;86(9):1057-1065.
2000
Hafner R, Spisak D, Lorenz R, Hafner J. Ab initio local-spin-density study of oscillatory exchange coupling and spin density waves in Fe/Cr multilayers. Journal of Applied Physics. 2000;87(9 II):5756-5758. doi: 10.1063/1.372512
Duschek R, Mittendorfer F, Blyth RIR, Netzer FP, Hafner J, Ramsey MG. The adsorption of aromatics on sp-metals: Benzene on Al(111). Chemical Physics Letters. 2000;318(1-3):43-48. doi: 10.1016/S0009-2614(99)01457-8
Showing entries 601 - 618 out of 618