Publications
Showing entries 141 - 160 out of 188
2013
Xu Y, Hao X, Franchini C, Gao F. Structural, Electronic, and Ferroelectric Properties of Compressed CdPbO3 Polymorphs. Inorganic Chemistry. 2013 Jan 21;52(2):1032-1039. doi: 10.1021/ic302298s
2012
He J, Franchini C. Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing parameter on the structural, electronic, and magnetic properties. Physical Review B. 2012 Dec 13;86(23):235117. doi: 10.1103/PhysRevB.86.235117
Hao X, Stroppa A, Picozzi S, Filippetti A, Franchini C. Exceptionally large room-temperature ferroelectric polarization in the PbNiO3 multiferroic nickelate: First-principles study. Physical Review B. 2012 Jul 30;86(1):014116. doi: 10.1103/PhysRevB.86.014116
Wang Z, Sun Y, Chen XQ, Franchini C, Xu G, Weng H et al. Dirac semimetal and topological phase transitions in A(3)Bi (A = Na, K, Rb). Physical Review B. 2012 May 22;85(19):195320. doi: 10.1103/PhysRevB.85.195320
Cordin M, Amann P, Menzel A, Bertel E, Baranov M, Diehl S et al. Comment on "Cleavage surface of the BaFe2-xCoxAs2 and FeySe1-xTex superconductors: A combined STM plus LEED study". Physical Review B. 2012;86(16):167401. doi: 10.1103/PhysRevB.86.167401
Franchini C, Allegretti F. Low Dimensionality and Epitaxial Stabilization in Metal-Supported Oxide Nanostructures: Mnx Oy on Pd(100) Mnx Oy. In Functional Metal Oxide Nanostructures. Springer New York LLC. 2012. p. 209-237. (Springer Series in Materials Sciences). doi: 10.1007/978-1-4419-9931-3_10
Franchini C, Kovácik R, Marsman M, Sathyanarayana Murthy S, He J, Ederer C et al. Maximally localized Wannier functions in LaMnO3 within PBE plus U, hybrid functionals and partially self-consistent GW: an efficient route to construct ab initio tight-binding parameters for e(g) perovskites. Journal of Physics: Condensed Matter. 2012;24(23):235602. doi: 10.1088/0953-8984/24/23/235602
Franchini C, Janotti A, Varley JB, Van de Walle CG. Role of self-trapping in luminescence and p-type conductivity of wide-band-gap oxides. Physical Review B. 2012;85(8):081109(R). doi: 10.1103/PhysRevB.85.081109
He J, Chen M, Chen XQ, Franchini C. Structural transitions and transport-half-metallic ferromagnetism in LaMnO3 at elevated pressure. Physical Review B. 2012;85(19):195135. doi: 10.1103/PhysRevB.85.195135
Franchini C, Li F, Surnev SL, Podloucky R, Allegretti F, Netzer FP. Tailor-made ultrathin manganese oxide nanostripes: 'magic widths' on Pd(1 1 N) terraces. Journal of Physics: Condensed Matter. 2012;24(4):042001. doi: 10.1088/0953-8984/24/4/042001
2011
Niu H, Wei P, Sun Y, Chen XQ, Franchini C, Li DZ et al. Electronic, optical, and mechanical properties of superhard cold-compressed phases of carbon. Applied Physics Letters. 2011;99(3):031901. doi: 10.1063/1.3610996
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
Showing entries 141 - 160 out of 188