MENCHÓN, R.E.; TORRESI, F.; LASAVE, J.; KOVAL, S.

Shell-model and first-principles calculations of vibrational, structural and ferroelectric properties of KH2PO4 (pags. 43709: 1-12)

CONDENSED MATTER PHYSICS; Año: 2022 vol. 25 p. 43709 - 43709

F. TORRESI; J. LASAVE; S. KOVAL

Path integral Monte Carlo simulations of the geometrical effects in KDP crystals (pags. 43708: 1-12)

CONDENSED MATTER PHYSICS; Año: 2022 vol. 25 p. 43708 - 43708

J. LASAVE; S. KOVAL; A. LAIO; E. TOSATTI

Proton strings and rings in atypical nucleation of ferroelectricity in ice (page: e2018837118)

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA; Lugar: Washington DC, USA; Año: 2021 vol. 118

KHOSRAVI, ALI; LASAVE, JORGE; KOVAL, SERGIO; TOSATTI, ERIO

Ring population statistics in an ice lattice model

JOURNAL OF CHEMICAL PHYSICS; Año: 2021 vol. 155 p. 224502 - 224505

MENCHÓN, R.; COLIZZI, G.; JOHNSTON, C.; TORRESI, F.; LASAVE, J.; KOVAL, S.; KOHANOFF, J.; MIGONI, R.

Ab initio study of the structure, isotope effects, and vibrational properties in KDP crystals

Physical Review B; Año: 2018 vol. 98 p. 1041081 - 10410817

J. LASAVE; P. ABUFAGER; S. KOVAL

Ab initio study of the one-dimensional H-bonded ferroelectric CsH2PO4 (art: PRB 93, 134112)

PHYSICAL REVIEW B; Lugar: New York; Año: 2016 vol. 93 p. 134112 - 134123

F. CAPITANI; S. KOVAL; R. FITTIPALDI; S. CARAMAZZA; E. PARIS; W. S. MOHAMED; J. LORENZANA; A. NUCARA; L. ROCCO; A. VECCHIONE; P. POSTORINO; P. CALVANI

Raman phonon spectrum of the Dzyaloshinskii-Moriya helimagnet Ba2CuGe2O7 (art: PRB 91, 214308)

PHYSICAL REVIEW B; Lugar: New York; Año: 2015 vol. 91 p. 214308 - 2143013

A. NUCARA; W. S. MOHAMED; L. BALDASSARRE; S. KOVAL; J. LORENZANA; R. FITTIPALDI; G. BALAKRISHNAN; A. VECCHIONE; P. CALVANI

Infrared phonon spectrum of the tetragonal helimagnet Ba2CuGe2O7 (art.: PRB 90, 014304)

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 2014 vol. 90 p. 143041 - 143047

R. A. CASALI; J. LASAVE; M. A. CARAVACA; S. KOVAL; C. A. PONCE; R. L. MIGONI

Ab initio and shell model studies of structural, thermoelastic and vibrational properties of SnO2 under pressure

JOURNAL OF PHYSICS CONDENSED MATTER; Lugar: Londres; Año: 2013 vol. 25 p. 135404 - 135415

J. LASAVE; S. KOVAL; R. L. MIGONI; N. S. DALAL

"Ab initio studies of the para- and antiferroelectric structures and local polarized configurations in NH4H2PO4" , (art.: JCP 135, 084504)

JOURNAL OF CHEMICAL PHYSICS; Año: 2011 vol. 135 p. 1 - 8

S. KOVAL; J. LASAVE; J. KOHANOFF; R. MIGONI

Shell Model Study of Local and Global Energy Barriers in KDP

FERROELECTRICS; Año: 2010 vol. 401 p. 103 - 109

J. LASAVE; J. KOHANOFF; R. L. MIGONI; S. KOVAL

A shell model for the H-bonded ferroelectric KH2PO4

PHYSICA B - CONDENSED MATTER; Año: 2009 vol. 404 p. 2736 - 2738

J. LASAVE; S. KOVAL; R. L. MIGONI

Coexistence of ferroelectric and antiferroelectric microregions in the paraelectric phase of NH4H2PO4 (ADP)

PHYSICA B - CONDENSED MATTER; Año: 2009 vol. 404 p. 2749 - 2750

J. LASAVE; S. F. KOVAL; N. S. DALAL; R. L. MIGONI

"Ab initio study of the microscopic mechanism leading to antiferroelectricity in NH4H2PO4 (ADP)"

FERROELECTRICS; Año: 2008 vol. 363 p. 13 - 20

J. LASAVE; S. KOVAL; N. S. DALAL; R. L. MIGONI

"Origin of Antiferroelectricity in NH4H2PO4 from First Principles" (art.: PRL 98, 267601)

PHYSICAL REVIEW LETTERS; Año: 2007 vol. 98 p. 1 - 4

J. LASAVE; S. KOVAL; N. S. DALAL; R. MIGONI

First-Principles Determination of Slater and Takagi Defect Properties in KDP

FERROELECTRICS; Año: 2006 vol. 333 p. 47 - 56

H. GIEFERS; S. KOVAL; G. WORTMANN; W. STURHAHN; E. E. ALP; M. Y. HU

Phonon density of states of Sn in textured SnO under high pressure: Comparison of nuclear inelastic x-ray scattering spectra to a shell model (art..: PRB 74, 094303)

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 2006 vol. 74 p. 1 - 12

S. KOVAL; J. KOHANOFF; J. LASAVE; G. COLIZZI; R. L. MIGONI

"First-principles study of ferroelectricity and isotope effects in H-bonded KH2PO4 crystals", (art. nro.: 184102)

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 2005 vol. 71 p. 1 - 15

J. LASAVE; S. KOVAL; N. S. DALAL; R. MIGONI

"Slater and Takagi defects in KH2PO4 from first principles", (art. nro.: 104104)

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 2005 vol. 72 p. 1 - 8

J. LASAVE; F. DOMINGUEZ; S. KOVAL; M. G. STACHIOTTI; R. L. MIGONI

"Shell-model description of lattice dynamical properties of MgH2"

JOURNAL OF PHYSICS CONDENSED MATTER; Año: 2005 vol. 17 p. 7133 - 7141

G. COLIZZI; J. KOHANOFF; J. LASAVE; S. KOVAL; R.L. MIGONI

"Ab-initio investigations of pressure effects on the ferroelectric instabilities in KDP and DKDP"

FERROELECTRICS; Año: 2004 vol. 301 p. 61 - 64

S. KOVAL; J. KOHANOFF; R. L. MIGONI; E. TOSATTI

"Ferroelectricity and Isotope Effects in Hydrogen-Bonded KDP Crystals" (art.: PRL 89, 187602)

PHYSICAL REVIEW LETTERS; Año: 2002 vol. 89 p. 1 - 4

S. KOVAL; J. KOHANOFF; R. L. MIGONI

"On the relevance of tunneling for the isotope effect in KDP"

FERROELECTRICS; Año: 2002 vol. 268 p. 239 - 244

S. KOVAL; J. KOHANOFF; R. L. MIGONI; A. BUSSMANN-HOLDER

"Interplay between proton ordering and ferroelectric polarization in H-bonded KDP-type crystals "

COMPUTATIONAL MATERIALS SCIENCE; Año: 2001 vol. 22 p. 87 - 93

J. KOHANOFF; S. KOVAL; D. A. ESTRIN; D. LARIA

"Concertedness and solvent effects in multiple proton transfer reactions: The formic acid dimer in solution"

JOURNAL OF CHEMICAL PHYSICS; Año: 2000 vol. 112 p. 9498 - 9508

S. KOVAL; R. BURRIEL; M. G. STACHIOTTI; M. CASTRO; R. L. MIGONI; M. S. MORENO; A. VARELA; C. O. RODRIGUEZ

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

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 1999 vol. 60 p. 14496 - 14499

I. FEDOROV; J. LORENZANA; P. DORE; G. DE MARZI; P. MASELLI; P. CALVANI; S.-W. CHEONG; S. KOVAL; R. MIGONI

"Infrared-active phonons of LaMnO3 and CaMnO3"

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 1999 vol. 60 p. 11875 - 11878

A. A. ALIGIA; S. KOVAL; R. MIGONI

Stability of 2sqrt[2]×2sqrt[2] oxygen ordered superstructures in YBa2Cu3O6+x

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 1998 vol. 57 p. 1241 - 1247

S. KOVAL; C. J. GAZZA

Validity ranges of the adiabatic and antiadiabatic approximation in a three-site cluster model

JOURNAL OF PHYSICS CONDENSED MATTER; Año: 1997 vol. 9 p. 2443 - 2451

S. KOVAL; R. MIGONI

Lattice dynamics of the infinite-layered compounds

PHYSICA C - SUPERCONDUTIVITY; Año: 1996 vol. 257 p. 255 - 263

J. RIERA; S. KOVAL

Magnetic excitations and effects of magnetic fields on the spin-Peierls transition in CuGeO3

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 1996 vol. 53 p. 770 - 774

S. KOVAL; M. G. STACHIOTTI; R. MIGONI; M. S. MORENO; R. C. MERCADER; E. L. PELTZER Y BLANCÁ

Shell-model lattice dynamics and Mössbauer recoilless fraction of SnO

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 1996 vol. 54 p. 7151 - 7156

J. RIERA; S. KOVAL; D. POILBLANC; F. PANTIGNY

Pair breaking by impurities in the two-dimensional t-J model

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 1996 vol. 54 p. 7441 - 7444

A. A. ALIGIA; S. KOVAL; R. MIGONI

Simple electronic model for oxygen nonstoichiometry in La2-xSrxCuO4-y

SOLID STATE COMMUNICATIONS; Año: 1995 vol. 95 p. 21 - 24

S. KOVAL; R. MIGONI

Infrared reflectivity of La2CuO4 : Anharmonic shell-model analysis

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 1995 vol. 51 p. 6634 - 6639

S. KOVAL; C. J. GAZZA; H. A. CECCATTO; R. MIGONI

Comment on "Polaron Origin for Anharmonicity of the Axial Oxygen in YBa2Cu3O7"

PHYSICAL REVIEW LETTERS; Año: 1995 vol. 75 p. 583 - 583

A. DOBRY; A. GRECO; S. KOVAL; J. RIERA

Exact diagonalization study of the two-dimensional t-J-Holstein model

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 1995 vol. 52 p. 13722 - 13725

S. KOVAL; R. MIGONI

Consistent anharmonic-shell-model calculation for the Raman mode in silicon

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 1994 vol. 49 p. 998 - 1004

S. KOVAL; A. GRECO

Strong Correlations, Frozen-Phonons and Double-Well Potential in the Cu-O Chains of YBa2Cu3O7-δ: An Exact Diagonalization Approach

SOLID STATE COMMUNICATIONS; Año: 1994 vol. 90 p. 17 - 21

S. KOVAL; R. MIGONI; H. BONADEO

Shell model description of the phonon dispersion in La2CuO4

JOURNAL OF PHYSICS CONDENSED MATTER; Año: 1992 vol. 4 p. 4759 - 4767

A. GRECO; S. KOVAL; R. MIGONI

Electronic polarizability effects on anharmonic phonon shift and damping in ionic crystals

JOURNAL OF PHYSICS CONDENSED MATTER; Año: 1992 vol. 4 p. 5291 - 5300