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1

Atomistic modelling of BaTiO 3 based on first-principles calculations

Tinte, S, Stachiotti, M G, Sepliarsky, M, Migoni, R L, Rodriguez, C O

Journal:

Journal of Physics Condensed Matter

Year:

1999

Language:

english

File:

PDF, 181 KB

english, 1999

2

Nonlinear lattice excitations in charge-fluctuating systems

Dobry, A., Greco, A., Migoni, R., Stachiotti, M.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 185 KB

english, 1993

3

Model potential for the ferroelectric ABO3 perovskites

Sepliarsky, M., Stachiotti, M. G., Migoni, R. L.

Journal:

Year:

1996

Language:

english

File:

PDF, 255 KB

english, 1996

4

Atomic-level simulation of perroelectricity in BaTiO 3 ultrathin films

Tinte, S., Stachiotti, M. G.

Journal:

Integrated Ferroelectrics

Year:

2001

Language:

english

File:

PDF, 433 KB

english, 2001

5

Crossover from a displacive to an order-disorder transition in the nonlinear-polarizability model

Stachiotti, M., Dobry, A., Migoni, R., Bussmann-Holder, A.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 342 KB

english, 1993

6

described by the nonlinear oxygen polarizability model

Sepliarsky, M., Stachiotti, M. G., Migoni, R. L.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 412 KB

english, 1995

7

Atomic-level simulation of ferroelectricity in perovskttes

Sepliarsky, M., Phillpot, S. R., Stachiotti, M. G., Wolf, D., Migoni, R. L.

Journal:

Integrated Ferroelectrics

Year:

2001

Language:

english

File:

PDF, 456 KB

english, 2001

8

ChemInform Abstract: Transition Metal Oxide Chemistry: Electronic Structure Study of WO3, ReO3, and NaWO3.

F. CORA, M. G. STACHIOTTI, C. R. A. CATLOW, C. O. RODRIGUEZ

Journal:

Year:

1997

File:

PDF, 29 KB

1997

9

Cu charge fluctuations and anomalous behaviour in the phonon spectrum of La2 Cu O4

A. Dobry, A. Greco, R. Migoni, M. Stachiotti

Journal:

Solid State Communications

Year:

1992

Language:

english

File:

PDF, 320 KB

english, 1992

10

Lattice dynamics of the high-Tc superconductor HgBa2CuO4

M.G. Stachiotti, E.L.Peltzer y Blancá, R.L. Migoni, C.O. Rodriguez, N.E. Christensen

Journal:

Physica C: Superconductivity

Year:

1995

Language:

english

File:

PDF, 472 KB

english, 1995

11

Pressure dependence of the electric-field gradients in YBa2Cu4O8

C.O. Rodriguez, G. Fabricius, M.G. Stachiotti, N.E. Christensen

Journal:

Physica C: Superconductivity

Year:

1997

Language:

english

File:

PDF, 165 KB

english, 1997

12

Theoretical determination of the lattice dynamical properties of the mercury based superconductor HgBa2CuO4

N. E. Christensen, M. G. Stachiotti, E. L. Peltzer y Blancá, R. L. Migoni, C. O. Rodriguez

Journal:

Journal of Superconductivity and Novel Magnetism

Year:

1995

Language:

english

File:

PDF, 175 KB

english, 1995

13

Order-disorder behavior in KNbO3and KNbO3/KTaO3solid solutions and superlattices by molecular-dynamics simulation

S. R. Phillpot, M. Sepliarsky, M. G. Stachiotti, R. L. Migoni, S. K. Streiffer

Journal:

Journal of Materials Science

Year:

2005

Language:

english

File:

PDF, 528 KB

english, 2005

14

Phase transitions and piezoelectric properties of SrBi2Ta2O9by molecular dynamics simulations

R. Machado, M. Sepliarsky, M. G. Stachiotti

Journal:

Journal of Materials Science

Year:

2010

Language:

english

File:

PDF, 307 KB

english, 2010

15

Effects of the Chemical Modifier on the Thermal Evolution of SrBi2Ta2O9Precursor Powders

M. G. Stachiotti, R. Machado, A. Frattini, N. Pellegri, O. Sanctis

Journal:

Journal of Sol-Gel Science and Technology

Year:

2005

Language:

english

File:

PDF, 1.85 MB

english, 2005

16

Effects of acetoin as chelating agent on the preparation of SrBi2Ta2O9thin films from non-hydrolyzing precursors

R. Machado, M. L. Santiago, M. G. Stachiotti, A. Frattini, N. Pellegri, R. Bolmaro, O. de Sanctis

Journal:

Journal of Sol-Gel Science and Technology

Year:

2008

Language:

english

File:

PDF, 610 KB

english, 2008

17

Electronic structure and phonon behaviour under pressure in YBa2Cu4O8

M.G Stachiotti, C.R.A Catlow, C.O Rodriguez, N.E Christensen

Journal:

Physica C: Superconductivity

Year:

1996

Language:

english

File:

PDF, 468 KB

english, 1996

18

First-principles determination of ferroelectric instabilities in Aurivillius compounds

Machado, R., Stachiotti, M., Migoni, R., Tera, A.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 274 KB

english, 2004

19

Nanoscale Toroidal Ferroelectricity in PbTiO 3

Stachiotti, M. G., Sepliarsky, M.

Journal:

Year:

2012

Language:

english

File:

PDF, 607 KB

english, 2012

20

First-Principles Calculations of Structural Properties of NaNbO 3

Machado, R., Sepliarsky, M., Stachiotti, M. G.

Journal:

Year:

2012

Language:

english

File:

PDF, 202 KB

english, 2012

21

Multiferroic behavior of Aurivillius Bi_{4}Mn_{3}O_{12} from first principles

Tinte, Silvia, Stachiotti, M. G.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 446 KB

english, 2012

22

Modelling of the phase transitions sequence in KNbO3and BaTiO3

S. Tinte, M. Sepliarsky, M.G. Stachiotti, R.L. Migoni, C.O. Rodriguez

Journal:

Zeitschrift für Physik B Condensed Matter

Year:

1997

Language:

english

File:

PDF, 110 KB

english, 1997

23

Shell-model description of lattice dynamical properties of MgH2

Lasave, J, Dominguez, F, Koval, S, Stachiotti, M G, Migoni, R L

Journal:

Journal of Physics Condensed Matter

Year:

2005

Language:

english

File:

PDF, 407 KB

english, 2005

24

Atomic-level simulation of ferroelectricity in oxide materials

M. Sepliarsky, A. Asthagiri, S.R. Phillpot, M.G. Stachiotti, R.L. Migoni

Journal:

Current Opinion in Solid State & Materials Science

Year:

2005

Language:

english

File:

PDF, 266 KB

english, 2005

25

Ab initio supported model simulations of ferroelectric perovskites

M. Sepliarsky, R.L. Migoni, M.G. Stachiotti

Journal:

Computational Materials Science

Year:

1998

Language:

english

File:

PDF, 500 KB

english, 1998

26

Dynamic mechanisms of the structural phase transitions in KNbO 3 : Molecular dynamics simulations

Sepliarsky, M., Stachiotti, M. G., Migoni, R. L., Rodriguez, C. O.

Journal:

Year:

1999

Language:

english

File:

PDF, 894 KB

english, 1999

27

First-principles investigation of SrBi 2 Ta 2 O 9

Stachiotti, M. G., Rodriguez, C. O., Ambrosch-Draxl, C., Christensen, N. E.

Journal:

Year:

2000

Language:

english

File:

PDF, 327 KB

english, 2000

28

Linear augmented-plane-wave frozen-phonon calculation, shell-model lattice dynamics, and specific-heat measurement of SnO

Koval, S., Burriel, R., Stachiotti, M. G., Castro, M., Migoni, R. L., Moreno, M. S., Varela, A., Rodriguez, C. O.

Journal:

Physical Review B

Year:

1999

Language:

english

File:

PDF, 43 KB

english, 1999

29

Nanoparticles

Stachiotti, M. G., Sepliarsky, M.

Journal:

Physical Review Letters

Year:

2011

Language:

english

File:

PDF, 1.17 MB

english, 2011

30

Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates

Machado, R., Sepliarsky, M., Stachiotti, M. G.

Journal:

Applied Physics Letters

Year:

2013

Language:

english

File:

PDF, 978 KB

english, 2013

31

Ferroelectric properties of Ba x Sr 1 x TiO 3 solid solutions obtained by molecular dynamics simulation

Tinte, S, Stachiotti, M G, Phillpot, S R, Sepliarsky, M, Wolf, D, Migoni, R L

Journal:

Journal of Physics Condensed Matter

Year:

2004

Language:

english

File:

PDF, 359 KB

english, 2004

32

Development of an Atomic Level Model for BiFeO 3 from First-Principles

Graf, M., Sepliarsky, M., Stachiotti, M., Tinte, S.

Journal:

Year:

2014

Language:

english

File:

PDF, 217 KB

english, 2014

33

The validity of the non-linear shell model for localized dipole moments in Li x K 1-x TaO 3

Stachiotti, M G, Migoni, R L

Journal:

Journal of Physics Condensed Matter

Year:

1991

Language:

english

File:

PDF, 322 KB

english, 1991

34

Lattice polarisation around off-centre Li in Li x K 1-x TaO 3

Stachiotti, M G, Migoni, R L

Journal:

Journal of Physics Condensed Matter

Year:

1990

Language:

english

File:

PDF, 625 KB

english, 1990

35

Polarization reversal in a perovskite ferroelectric by molecular-dynamics simulation

Sepliarsky, M., Phillpot, S. R., Streiffer, S. K., Stachiotti, M. G., Migoni, R. L.

Journal:

Applied Physics Letters

Year:

2001

Language:

english

File:

PDF, 252 KB

english, 2001

36

Transition Metal Oxide Chemistry: Electronic Structure Study of WO 3 , ReO 3 , and NaWO 3

Corà, F., Stachiotti, M. G., Catlow, C. R. A., Rodriguez, C. O.

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 225 KB

english, 1997

37

Phase transition, dielectric and piezoelectric properties of LixK1−xNbO3

Machado, R., Di Loreto, A., Frattini, A., Sepliarsky, M., de Sanctis, O., Stachiotti, M.G.

Journal:

Journal of Alloys and Compounds

Year:

2015

Language:

english

File:

PDF, 1.43 MB

english, 2015

38

Guest Editorial

Migoni, Ricardo L., Stachiotti, Marcelo G.

Journal:

Year:

2006

Language:

english

File:

PDF, 44 KB

english, 2006

39

Order-disorder, local structure and precursor effects in BaTiO 3

Tinte, S., Stachiotti, M. G., Sepliarsky, M., Migoni, R. L., Rodriguez, C. O.

Journal:

Year:

2000

Language:

english

File:

PDF, 318 KB

english, 2000

40

Surface and Substrate Effects on the Ferroelectric Properties of PbTiO 3 Ultrathin Films

Sepliarsky, M., Stachiotti, M. G., Migoni, R. L.

Journal:

Year:

2006

Language:

english

File:

PDF, 640 KB

english, 2006

41

Preparation and Characterization of Mn-Doped (Ba 0.85 Ca 0.15 )(Zr 0.1 Ti 0.9 )O 3 Ceramics

Di Loreto, A., Frattini, A., Machado, R., de Sanctis, O., Stachiotti, M. G.

Journal:

Year:

2014

Language:

english

File:

PDF, 643 KB

english, 2014

42

from atomic-level simulations

Graf, M., Sepliarsky, M., Tinte, S., Stachiotti, M. G.

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 1.11 MB

english, 2014

43

Guest Editorial

Migoni, Ricardo L., Stachiotti, Marcelo G.

Journal:

Year:

2006

Language:

english

File:

PDF, 44 KB

english, 2006

44

Atomic-level simulation of ferroelectricity in perovskite solid solutions

Sepliarsky, M., Phillpot, S. R., Wolf, D., Stachiotti, M. G., Migoni, R. L.

Journal:

Applied Physics Letters

Year:

2000

Language:

english

File:

PDF, 300 KB

english, 2000

45

on Ag surfaces

Stachiotti, M. G.

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 493 KB

english, 2009

46

Ultrathin Films on a Paraelectric Substrate

Sepliarsky, M., Stachiotti, M. G., Migoni, R. L.

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 556 KB

english, 2006

47

Effects of the Chelating Agent on the Fabrication of SBT Thin Films: Part I. Stoichiometry and Crystallization Behavior

Stachiotti, M. G., Machado, R., Frattini, A., Pellegri, N., de Sanctis, O.

Journal:

Year:

2006

Language:

english

File:

PDF, 588 KB

english, 2006

48

Off-center impurities in a robust ferroelectric material: Case of Li in KNbO

Machado, R., Sepliarsky, M., Stachiotti, M. G.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.58 MB

english, 2012

49

ultrathin films

Tinte, S., Stachiotti, M. G.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 93 KB

english, 2001

50

from first-principles calculations

Machado, R., Sepliarsky, M., Stachiotti, M. G.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 290 KB

english, 2011