Publications

Showing entries 161 - 180 out of 197

2011

Franchini C, Archer T, He J, Chen XQ, Filippetti A, Sanvito S. Exceptionally strong magnetism in the 4d perovskites RTcO3 (R = Ca, Sr, Ba). Physical Review B. 2011;83(22):220402(R). doi: 10.1103/PhysRevB.83.220402
Archer T, Pemmaraju CD, Sanvito S, Franchini C, He J, Filippetti A et al. Exchange interactions and magnetic phases of transition metal oxides: Benchmarking advanced ab initio methods. Physical Review B. 2011;84(11):115114. doi: 10.1103/PhysRevB.84.115114
Chen XQ, Niu H, Franchini C, Li DZ, Li Y. Hardness of T-carbon: Density functional theory calculations. Physical Review B. 2011;84(12):121405(R). doi: 10.1103/PhysRevB.84.121405
Sun Y, Chen XQ, Franchini C, Li D, Yunoki S, Li Y et al. Strain-driven onset of nontrivial topological insulating states in Zintl Sr(2)X compounds (X = Pb, Sn). Physical Review B. 2011;84(16):165127. doi: 10.1103/PhysRevB.84.165127
Franchini C, Chen XQ, Podloucky R. Thickness dependent structural and electronic properties of CuO grown on SrTiO3(100): a hybrid density functional theory study. Journal of Physics: Condensed Matter. 2011;23(4):045004. doi: 10.1088/0953-8984/23/4/045004

2010

Amann P, Cordin M, Braun C, Lechner BAJ, Menzel A, Bertel E et al. Electronically driven phase transitions in a quasi-one-dimensional adsorbate system. European Physical Journal B. 2010;75(1):15-22. doi: 10.1140/epjb/e2010-00026-5
Profeta G, Franchini C, Gamalath KAILW, Continenza A. First-principles investigation of BaFe2As2(001). Physical Review B. 2010;82(19):195407. doi: 10.1103/PhysRevB.82.195407
Cordin M, Lechner BAJ, Amann P, Menzel A, Bertel E, Franchini C et al. Phase transitions driven by competing interactions in low-dimensional systems. Europhysics Letters. 2010;92(2):26004 . doi: 10.1209/0295-5075/92/26004
Chen XQ, Fu CL, Franchini C. Polymeric forms of carbon in dense lithium carbide. Journal of Physics: Condensed Matter. 2010;22(29):292201. doi: 10.1088/0953-8984/22/29/292201
Allegretti F, Parteder G, Gragnaniello L, Surnev SL, Netzer FP, Barolo A et al. Strained c(4 x 2) CoO(100)-like monolayer on Pd(100): Experiment and theory. Surface Science. 2010;604(5-6):529-534. doi: 10.1016/j.susc.2009.12.018
Franchini C, Sanna A, Marsman M, Kresse G. Structural, vibrational, and quasiparticle properties of the Peierls semiconductor BaBiO3: A hybrid functional and self-consistent GW + vertex-corrections study. Physical Review B. 2010;81(8):085213. doi: 10.1103/PhysRevB.81.085213

2009

Dona E, Cordin M, Deisl C, Bertel E, Franchini C, Zucca R et al. Halogen-Induced Corrosion of Platinum. Journal of the American Chemical Society. 2009;131(8):2827-2829. doi: 10.1021/ja809674n
Chen XQ, Fu CL, Franchini C, Podloucky R. Hybrid density-functional calculation of the electronic and magnetic structures of tetragonal CuO. Physical Review B. 2009;80(9):094527. doi: 10.1103/PhysRevB.80.094527
Franchini C, Zabloudil J, Podloucky R, Allegretti F, Li F, Surnev SL et al. Interplay between magnetic, electronic, and vibrational effects in monolayer Mn3O4 grown on Pd(100). Journal of Chemical Physics. 2009;130(12):124707. doi: 10.1063/1.3097957
Franchini C, Kresse G, Podloucky R. Polaronic Hole Trapping in Doped BaBiO3. Physical Review Letters. 2009;102(25):256402. doi: 10.1103/PhysRevLett.102.256402
Franchini C, Podloucky R, Allegretti F, Li F, Parteder G, Surnev SL et al. Structural and vibrational properties of two-dimensional MnxOy layers on Pd(100): Experiments and density functional theory calculations. Physical Review B. 2009;79(3):035420. doi: 10.1103/PhysRevB.79.035420
Li F, Parteder G, Allegretti F, Franchini C, Podloucky R, Surnev SL et al. Two-dimensional manganese oxide nanolayers on Pd(100): The surface phase diagram. Journal of Physics: Condensed Matter. 2009;21(13):134008. doi: 10.1088/0953-8984/21/13/134008

2007

Floris A, Sanna A, Lueders M, Profeta G, Lathiotakis NN, Marques MAL et al. Superconducting properties of MgB2 from first principles. Physica C: Superconductivity and its Applications. 2007 Jun 1;456(1-2):45-53. doi: 10.1016/j.physc.2007.01.026
Bayer V, Franchini C, Podloucky R. Ab initio study of the structural, electronic, and magnetic properties of MnO(100) and MnO(110). Physical Review B. 2007;75(3):035404. doi: 10.1103/PhysRevB.75.035404
Allegretti F, Franchini C, Bayer V, Leitner M, Parteder G, Xu B et al. Epitaxial stabilization of MnO(111) overlayers on a Pd(100) surface. Physical Review B. 2007;75(22):224120. doi: 10.1103/PhysRevB.75.224120
Showing entries 161 - 180 out of 197