Ab initio study of the phase diagram of epitaxial O Diéguez, S Tinte, A Antons, C Bungaro, JB Neaton, KM Rabe, ...
Physical Review B 69 (21), 212101, 2004
260 2004 Atomistic modelling of BaTiO3 based on first-principles calculations S Tinte, MG Stachiotti, M Sepliarsky, RL Migoni, CO Rodriguez
Journal of Physics: Condensed Matter 11 (48), 9679, 1999
205 1999 Origin of the Relaxor State in Perovskites S Tinte, BP Burton, E Cockayne, UV Waghmare
Physical review letters 97 (13), 137601, 2006
148 2006 Surface effects and ferroelectric phase transitions in ultrathin films S Tinte, MG Stachiotti
Physical Review B 64 (23), 235403, 2001
127 2001 Anomalous enhancement of tetragonality in induced by negative pressure S Tinte, KM Rabe, D Vanderbilt
Physical Review B 68 (14), 144105, 2003
120 2003 Ferroelectric properties of BaxSr1− xTiO3 solid solutions obtained by molecular dynamics simulation S Tinte, MG Stachiotti, SR Phillpot, M Sepliarsky, D Wolf, RL Migoni
Journal of Physics: Condensed Matter 16 (20), 3495, 2004
118 2004 Applications of the generalized gradient approximation to ferroelectric perovskites S Tinte, MG Stachiotti, CO Rodriguez, DL Novikov, NE Christensen
Physical Review B 58 (18), 11959, 1998
103 1998 First-principles-based simulations of relaxor ferroelectrics BP Burton, E Cockayne, S Tinte, UV Waghmare
Phase Transitions 79 (1-2), 91-121, 2006
94 2006 Quantitative analysis of the first-principles effective Hamiltonian approach to ferroelectric perovskites S Tinte, J Íñiguez, KM Rabe, D Vanderbilt
Physical Review B 67 (6), 064106, 2003
67 2003 Order-disorder, local structure and precursor effects in BaTiO3 S Tinte, MG Stachiotti, M Sepliarsky, RL Migoni, CO Rodriguez
Ferroelectrics 237 (1), 41-48, 2000
35 2000 Atomistic simulation of surface effects in S Tinte, MG Stachiotti
AIP Conference Proceedings 535 (1), 273-282, 2000
32 2000 Mixed formamidinium–methylammonium lead iodide perovskite from first-principles: hydrogen-bonding impact on the electronic properties M Senno, S Tinte
Physical Chemistry Chemical Physics 23 (12), 7376-7385, 2021
30 2021 Phase transitions and antiferroelectricity in from atomic-level simulations M Graf, M Sepliarsky, S Tinte, MG Stachiotti
Physical Review B 90 (18), 184108, 2014
24 2014 Vibrational effects on SrTiO3 Ti 1s absorption spectra studied using first-principles methods S Tinte, EL Shirley
Journal of Physics: Condensed Matter 20 (36), 365221, 2008
21 2008 Ferroelectric surface induced electron doping in a zigzag graphene nanoribbon GD Belletti, SD Dalosto, S Tinte
Journal of Physics: Condensed Matter 28 (43), 435002, 2016
14 2016 Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in BP Burton, E Cockayne, S Tinte, UV Waghmare
Physical Review B 77 (14), 144114, 2008
14 2008 Fluctuation Effects of the Electric Field Induced by Water on a Graphene Dot Band Gap SD Dalosto, S Tinte
The Journal of Physical Chemistry C 115 (11), 4381-4386, 2011
11 2011 Dynamical behavior of the phase transition of strained BaTiO3 from atomistic simulations M Sepliarsky, S Tinte
Physica B: Condensed Matter 404 (18), 2730-2732, 2009
10 2009 Modelling of the phase transitions sequence in KNbO3 and BaTiO3 S Tinte, M Sepliarsky, MG Stachiotti, RL Migoni, CO Rodriguez
Zeitschrift für Physik B Condensed Matter 104, 721-724, 1997
10 1997 Strain-gradient-induced switching of nanoscale domains in free-standing ultrathin films GD Belletti, SD Dalosto, S Tinte
Physical Review B 89 (17), 174104, 2014
9 2014