Toroidal ferroelectricity in PbTiO3 nanoparticles von Stachiotti, M G, Sepliarsky, M

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Topology of the polarization field in PbTiO3 nanoparticles of different shapes by atomic-level simulations von Di Rino, F., Sepliarsky, M., Stachiotti, M. G.

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First-principles based atomistic modeling of phase stability in PMN–xPT von Sepliarsky, M, Cohen, R E

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Site occupancy effects of Mg impurities in BaTiO3 von Machado, R., Di Loreto, A., Frattini, A., Sepliarsky, M., Stachiotti, M.G.

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Rhombohedral R3c to orthorhombic Pnma phase transition induced by Y-doping in BiFeO3 von Graf, M E, Di Napoli, S, Barral, M A, Saleh Medina, L M, Negri, R M, Sepliarsky, M, Llois, A M

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Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates von Machado, R., Sepliarsky, M., Stachiotti, M. G.

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Atomic-level simulation of ferroelectricity in oxide materials von Sepliarsky, M., Asthagiri, A., Phillpot, S.R., Stachiotti, M.G., Migoni, R.L.

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Phase transitions and piezoelectric properties of SrBi2Ta2O9 by molecular dynamics simulations von Machado, R., Sepliarsky, M., Stachiotti, M. G.

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Interface effects in ferroelectric PbTiO3 ultrathin films on a paraelectric substrate von Sepliarsky, M, Stachiotti, M G, Migoni, R L

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Ferroelectric properties of BaxSr1−xTiO3 solid solutions obtained by molecular dynamics simulation von Tinte, S, Stachiotti, M G, Phillpot, S R, Sepliarsky, M, Wolf, D, Migoni, R L

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Surface reconstruction and ferroelectricity in PbTiO3 thin films von SEPLIARSKY, M, STACHIOTTI, M. G, MIGONI, R. L

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Ferroelectric phase transitions and dynamical behavior in KNbO3/KTaO3 superlattices by molecular-dynamics simulation von Sepliarsky, M., Phillpot, S. R., Stachiotti, M. G., Migoni, R. L.

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Atomistic modelling of BaTiO3 based on first-principles calculations von Tinte, S, Stachiotti, M G, Sepliarsky, M, Migoni, R L, Rodriguez, C O

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Ferroelectric properties of KNbO3/KTaO3 superlattices by atomic-level simulation von Sepliarsky, M., Phillpot, S. R., Wolf, D., Stachiotti, M. G., Migoni, R. L.

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Effects of the antiferrodistortive instability on the structural behavior of BaZrO 3 by atomistic simulations von Sepliarsky, M., Machado, R., Tinte, S., Stachiotti, M. G.

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Dielectric and piezoelectric properties of BiFeO3 from molecular dynamics simulations von Graf, M., Sepliarsky, M., Machado, R., Stachiotti, M.G.

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Atomic-level simulation of ferroelectricity in perovskite solid solutions von Sepliarsky, M., Phillpot, S. R., Wolf, D., Stachiotti, M. G., Migoni, R. L.

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First-principles based atomistic modeling of phase stability in PMN– x PT von Sepliarsky, M, Cohen, R E

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Toroidal Ferroelectricity in PbTiO 3 Nanoparticles von Stachiotti, M. G., Sepliarsky, M.

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Rhombohedral R 3 c to orthorhombic Pnma phase transition induced by Y-doping in BiFeO 3 von Graf, M E, Di Napoli, S, Barral, M A, Saleh Medina, L M, Negri, R M, Sepliarsky, M, Llois, A M

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