Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals von Koval, S, Kohanoff, J, Migoni, R L, Tosatti, E

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Ab initio and shell model studies of structural, thermoelastic and vibrational properties of SnO2 under pressure von Casali, R A, Lasave, J, Caravaca, M A, Koval, S, Ponce, C A, 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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Interface effects in ferroelectric PbTiO3 ultrathin films on a paraelectric substrate von Sepliarsky, M, 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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Surface reconstruction and ferroelectricity in PbTiO3 thin films von SEPLIARSKY, M, STACHIOTTI, M. G, MIGONI, R. L

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Shell-model description of lattice dynamical properties of MgH2 von Lasave, J, Dominguez, F, Koval, S, Stachiotti, M G, Migoni, R L

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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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Origin of antiferroelectricity in NH4H2PO4 from first principles von Lasave, J, Koval, S, Dalal, N S, 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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Order-disorder behavior in KNbO3 and KNbO3/KTaO3 solid solutions and superlattices by molecular-dynamics simulation von PHILLPOT, S. R, SEPLIARSKY, M, STACHIOTTI, M. G, MIGONI, R. L, STREIFFER, S. K

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Ab initio studies of the para- and antiferroelectric structures and local polarized configurations in NH4H2PO4 von Lasave, J, Koval, S, Migoni, R L, Dalal, N S

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A shell model for the H-bonded ferroelectric KH2PO4 von LASAVE, J, KOHANOFF, J, MIGONI, R. L, KOVAL, S

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Coexistence of ferroelectric and antiferroelectric microregions in the paraelectric phase of NH4H2PO4 (ADP) von LASAVE, J, KOVAL, S, MIGONI, R. L

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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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Interplay between proton ordering and ferroelectric polarization in H-bonded KDP-type crystals von Koval, S, Kohanoff, J, Migoni, R.L, Bussmann-Holder, A

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Polarization reversal in a perovskite ferroelectric by molecular-dynamics simulation von Sepliarsky, M., Phillpot, S. R., Streiffer, S. K., Stachiotti, M. G., Migoni, R. L.

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First-principles determination of ferroelectric instabilities in Aurivillius compounds von MACHADO, R, STACHIOTTI, M. G, MIGONI, R. L, HUANOSTA TERA, A

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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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Lattice polarisation around off-centre Li in LixK1-xTaO3 von Stachiotti, M G, Migoni, R L

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