Publications
Showing entries 141 - 160 out of 197
2014
Macher M, Klimes J, Franchini C, Kresse G. The random phase approximation applied to ice. Journal of Chemical Physics. 2014 Feb 28;140(8):084502. doi: 10.1063/1.4865748
He J, Hummer K, Franchini C. Stacking effects on the electronic and optical properties of bilayer transition metal dichalcogenides MoS2, MoSe2, WS2, and WSe2. Physical Review B. 2014 Feb 10;89(7):075409. doi: 10.1103/PhysRevB.89.075409
Hao XF, Stroppa A, Barone P, Filippetti A, Franchini C, Picozzi S. Structural and ferroelectric transitions in magnetic nickelate PbNiO3. New Journal of Physics. 2014 Jan 30;16:015030. doi: 10.1088/1367-2630/16/1/015030
He J, Franchini C. Structural determination and electronic properties of the 4d perovskite SrPdO3. Physical Review B. 2014 Jan 6;89(4):045104. doi: 10.1103/PhysRevB.89.045104
Oberkalmsteiner N, Cordin M, Duerrbeck S, Bertel E, Redinger J, Franchini C. Degenerate Phases of Iodine on Pt(110) at Half-Monolayer Coverage. The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces). 2014;118(51):29919-29927. doi: 10.1021/jp509687b
2013
Sun Y, Zhong Z, Shirakawa T, Franchini C, Li D, Li Y et al. Rocksalt SnS and SnSe: Native topological crystalline insulators. Physical Review B. 2013 Dec 19;88(23):235122. doi: 10.1103/PhysRevB.88.235122
Wang Z, Hao X, Gerhold S, Novotny Z, Franchini C, McDermott E et al. Water Adsorption at the Tetrahedral Titania Surface Layer of SrTiO3(110)-(4 × 1). The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces). 2013 Nov 25;117(49):26060-26069. doi: 10.1021/jp407889h
Janotti A, Franchini C, Varley JB, Kresse G, Van de Walle CG. Dual behavior of excess electrons in rutile TiO2. Physica Status Solidi. Rapid Research Letters. 2013 Mar 1;7(3):199-203. doi: 10.1002/pssr.201206464
Wu G, Chen H, Sun Y, Li X, Cui P, Franchini C et al. Tuning the vertical location of helical surface states in topological insulator heterostructures via dual-proximity effects. Scientific Reports. 2013 Feb 6;3:1233. doi: 10.1038/srep01233
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
Showing entries 141 - 160 out of 197