Items where Author is "Botti, Silvana"

2021

Fadaly, Elham M. T. and Marzegalli, Anna and Ren, Yizhen and Sun, Lin and Dijkstra, Alain and de Matteis, Diego and Scalise, Emilio and Sarikov, Andrey and De Luca, Marta and Rurali, Riccardo and Zardo, Ilaria and Haverkort, Jos E. M. and Botti, Silvana and Miglio, Leo and Bakkers, Erik P. A. M. and Verheijen, Marcel A.. (2021) Unveiling Planar Defects in Hexagonal Group IV Materials. Nano Letters, 21 (8). pp. 3619-3625.

2019

Grauzinyte, Migle and Botti, Silvana and Marques, Miguel A. L. and Goedecker, Stefan and Flores-Livas, Jose A.. (2019) Computational acceleration of prospective dopant discovery in cuprous iodide. Physical Chemistry Chemical Physics, 21 (35). pp. 18839-18849.

Flores-Livas, José A. and Sarmiento-Pérez, R. and Botti, Silvana and Goedecker, Stefan and Marques, Miguel A. L.. (2019) Rare-earth magnetic nitride perovskites. Journal of Physics: Materials, 2 (2). 025003.

2016

Valencia-Jaime, Irais and Sarmiento-Perez, Rafael and Botti, Silvana and Marques, Miguel A. L. and Amsler, M. and Goedecker, S. and Romero, Aldo H.. (2016) Novel crystal structures for lithium-silicon alloy predicted by minima hopping method. Journal of Alloys and Compounds , 655. pp. 147-154.

2015

Cerqueira, Tiago F. T. and Lin, Sun and Amsler, Maximilian and Goedecker, Stefan and Botti, Silvana and Marques, Miguel A. L.. (2015) Identification of novel Cu, Ag, and Au ternary oxides from global structural prediction. Chemistry of Materials, 27 (13). pp. 4562-4573.

Amsler, Maximilian and Botti, Silvana and Marques, Miguel A. L. and Lenosky, Thomas J. and Goedecker, Stefan. (2015) Low-density silicon allotropes for photovoltaic applications. Physical Review B, 92 (1). 014101.

2014

Tran, Huan Doan and Amsler, Maximilian and Botti, Silvana and Marques, Miguel A. L. and Goedecker, Stefan. (2014) First-principles predicted low-energy structures of NaSc(BH4)(4). Journal of Chemical Physics, 140 (12). p. 124708.

Amsler, Maximilian and Flores-Livas, José A. and Botti, Silvana and Marques, Miguel A. L. and Goedecker, Stefan. (2014) Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design ApproachComment. Physical Review Letters, 112 (19). p. 199801.

2013

Botti, Silvana and Amsler, Maximilian and Flores-Livas, Jose A. and Ceria, Paul and Goedecker, Stefan and Marques, Miguel A. L.. (2013) Carbon structures and defect planes in diamond at high pressure. Physical review B: Condensed matter and materials physics, 88 (1). 014102.

Amsler, Maximilian and Botti, Silvana and Marques, Miguel A. L. and Goedecker, Stefan. (2013) Conducting Boron Sheets Formed by the Reconstruction of the alpha-Boron (111) Surface. Physical Review Letters, 111 (13). p. 136101.

Amsler, Maximilian and Flores-Livas, Jose A. and Marques, Miguel A. L. and Botti, Silvana and Goedecker, Stefan. (2013) Prediction of a novel monoclinic carbon allotrope. The European physical journal. B, Condensed matter, 86 (9). p. 383.

Sarmiento-Perez, Rafael and Cerqueira, Tiago F. T. and Valencia-Jaime, Irais and Amsler, Maximilian and Goedecker, Stefan and Botti, Silvana and Marques, Miguel A. L. and Romero, Aldo H.. (2013) Sodium-gold binaries: novel structures for ionic compounds from an ab initio structural search. New journal of physics, 15. p. 115007.

Cerqueira, Tiago F. T. and Sarmiento-Perez, Rafael and Trani, Fabio and Amsler, Maximilian and Goedecker, Stefan and Marques, Miguel A. L. and Botti, Silvana. (2013) The crystal structure of p-type transparent conductive oxide CuBO2. Mrs Communications, 3 (3). pp. 157-160.

2012

Amsler, Maximilian and Flores-Livas, Jose A. and Lehtovaara, Lauri and Balima, Felix and Ghasemi, S. Alireza and Machon, Denis and Pailhes, Stephane and Willand, Alexander and Caliste, Damien and Botti, Silvana and San Miguel, Alfonso and Goedecker, Stefan and Marques, Miguel A. L.. (2012) Crystal Structure of Cold Compressed Graphite. Physical Review Letters, 108 (6). 065501.

Flores-Livas, Jose A. and Amsler, Maximilian and Lenosky, Thomas J. and Lehtovaara, Lauri and Botti, Silvana and Marques, Miguel A. L. and Goedecker, Stefan. (2012) High-Pressure Structures of Disilane and Their Superconducting Properties. Physical Review Letters, 108 (11). p. 117004.

Huan, Tran Doan and Amsler, Maximilian and Marques, Miguel A. L. and Botti, Silvana and Willand, Alexander and Goedecker, Stefan. (2012) Low-Energy Polymeric Phases of Alanates. Physical Review Letters, 110 (13). p. 135502.

Botti, Silvana and Flores-Livas, Jose A. and Amsler, Maximilian and Goedecker, Stefan and Marques, Miguel A. L.. (2012) Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications. Physical Review B, 86 (12). p. 121204.

Amsler, Maximilian and Flores-Livas, José A. and Huan, Tran Doan and Botti, Silvana and Marques, Miguel A. L. and Goedecker, Stefan. (2012) Novel structural motifs in low energy phases of LiAlH4. Physical review letters, 108 (20). p. 205505.

Flores-Livas, Jose A. and Lehtovaara, Lauri and Amsler, Maximilian and Goedecker, Stefan and Pailhes, Stephane and Botti, Silvana and San Miguel, Alfonso and Marques, Miguel A. L.. (2012) Raman activity of sp(3) carbon allotropes under pressure: A density functional theory study. Physical review B: Condensed matter and materials physics, 85 (15). p. 155428.