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Hybrid Improper Ferroelectricity in a Multiferroic and Magnetoelectric Metal-Organic Framework

Advanced materials (Weinheim), 2013-04, Vol.25 (16), p.2284-2290

2013

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The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies

New journal of physics, 2008-06, Vol.10 (6), p.063020

2008

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Hybrid functionals applied to extended systems

Journal of physics. Condensed matter, 2008-02, Vol.20 (6), p.064201-064201 (9)

2008

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Hybrid functional study of proper and improper multiferroics

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (2), p.545-5416

2010

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Accurate surface and adsorption energies from many-body perturbation theory

Nature materials, 2010-09, Vol.9 (9), p.741-744

2010

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Unraveling the Jahn-Teller effect in Mn-doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional

Physical review. B, Condensed matter and materials physics, 2009-05, Vol.79 (20), Article 201201

2009

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Persistent and Quasipersistent Spin Textures in Halide Perovskites Induced by Uniaxial Stress

The journal of physical chemistry letters, 2023-09, Vol.14 (38), p.8541-8547

2023

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Large ferroelectric polarization in the new double perovskite NaLaMnWO6 induced by non-polar instabilities

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (26), p.12186-12190

2011

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Advances in ab-initio theory of multiferroics: Materials and mechanisms: modelling and understanding

The European physical journal. B, Condensed matter physics, 2012-07, Vol.85 (7), Article 240

2012

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Phase Transition, Dielectric Properties, and Ionic Transport in the [(CH3)2NH2]PbI3 Organic–Inorganic Hybrid with 2H-Hexagonal Perovskite Structure

Inorganic chemistry, 2017-05, Vol.56 (9), p.4918-4927

2017

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Room-Temperature Polar Order in [NH4][Cd(HCOO)3] - A Hybrid Inorganic–Organic Compound with a Unique Perovskite Architecture

Inorganic chemistry, 2015-03, Vol.54 (5), p.2109-2116

2015

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Structural and ferroelectric transitions in magnetic nickelate PbNiO3

New journal of physics, 2014-01, Vol.16 (1), p.015030

2014

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Electronic structure and ferromagnetism of Mn-doped group-IV semiconductors

Physical review. B, Condensed matter, 2003-10, Vol.68 (15), Article 155203

2003

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Structural and ferroelectric transitions in magnetic nickelate PbNiO 3

New journal of physics, 2014-01, Vol.16 (1), p.15030

2014

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Tuning the CO Dissociation Barriers by Low-Dimensional Surface Alloys

Journal of physical chemistry. C, 2011-11, Vol.115 (43), p.21320-21323

2011

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Anomalous Hall effect in antiferromagnetic/nonmagnetic interfaces

Physical review research, 2020-12, Vol.2 (4), Article 043394

2020

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Fingerprints of the hydrogen bond in the photoemission spectra of croconic acid condensed phase: An x-ray photoelectron spectroscopy and ab-initio study

The Journal of chemical physics, 2011-05, Vol.134 (17), p.174505-174505-5

2011

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Atomically precise semiconductor—graphene and hBN interfaces by Ge intercalation

Scientific reports, 2015-12, Vol.5 (1), p.17700-17700, Article 17700

2015

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The electronic structure of gas phase croconic acid compared to the condensed phase: more insight into the hydrogen bond interaction

The Journal of chemical physics, 2013-01, Vol.138 (1), p.014308-014308

2013

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Phase Transition, Dielectric Properties, and Ionic Transport in the [(CH 3 ) 2 NH 2 ]PbI 3 Organic-Inorganic Hybrid with 2H-Hexagonal Perovskite Structure

Inorganic chemistry, 2017-05, Vol.56 (9), p.4918-4927

2017

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Computational and experimental imaging of Mn defects on GaAs (110) cross-sectional surfaces

Physical review. B, Condensed matter and materials physics, 2007-05, Vol.75 (19), Article 195335

2007

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Ab initio study of the relation between electric polarization and electric field gradients in ferroelectrics

Physical review. B, Condensed matter and materials physics, 2012-07, Vol.86 (3), Article 035145

2012

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Adsorption and Dissociation of CO on Bare and Ni-Decorated Stepped Rh(553) Surfaces

Journal of physical chemistry. C, 2009-01, Vol.113 (3), p.942-949

2009

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Unravelling the Role of the Central Metal Ion in the Electronic Structure of Tris(8-hydroxyquinoline) Metal Chelates: Photoemission Spectroscopy and Hybrid Functional Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-11, Vol.116 (47), p.11548-11552

2012

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Effect of Au proximity on the LSMO surface: An ab initio study

Journal of magnetism and magnetic materials, 2012-08, Vol.324 (17), p.2659-2663

2012

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Hybrid Improper Ferroelectricity in a Multiferroic and Magnetoelectric Metal-Organic Framework

The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies

Hybrid functionals applied to extended systems

Hybrid functional study of proper and improper multiferroics

Accurate surface and adsorption energies from many-body perturbation theory

Unraveling the Jahn-Teller effect in Mn-doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional

Persistent and Quasipersistent Spin Textures in Halide Perovskites Induced by Uniaxial Stress

Large ferroelectric polarization in the new double perovskite NaLaMnWO6 induced by non-polar instabilities

Advances in ab-initio theory of multiferroics: Materials and mechanisms: modelling and understanding

Phase Transition, Dielectric Properties, and Ionic Transport in the [(CH3)2NH2]PbI3 Organic–Inorganic Hybrid with 2H-Hexagonal Perovskite Structure

Room-Temperature Polar Order in [NH4][Cd(HCOO)3] - A Hybrid Inorganic–Organic Compound with a Unique Perovskite Architecture

Structural and ferroelectric transitions in magnetic nickelate PbNiO3

Electronic structure and ferromagnetism of Mn-doped group-IV semiconductors

Structural and ferroelectric transitions in magnetic nickelate PbNiO 3

Tuning the CO Dissociation Barriers by Low-Dimensional Surface Alloys

Anomalous Hall effect in antiferromagnetic/nonmagnetic interfaces

Fingerprints of the hydrogen bond in the photoemission spectra of croconic acid condensed phase: An x-ray photoelectron spectroscopy and ab-initio study

Atomically precise semiconductor—graphene and hBN interfaces by Ge intercalation

The electronic structure of gas phase croconic acid compared to the condensed phase: more insight into the hydrogen bond interaction

Phase Transition, Dielectric Properties, and Ionic Transport in the [(CH 3 ) 2 NH 2 ]PbI 3 Organic-Inorganic Hybrid with 2H-Hexagonal Perovskite Structure

Computational and experimental imaging of Mn defects on GaAs (110) cross-sectional surfaces

Ab initio study of the relation between electric polarization and electric field gradients in ferroelectrics

Adsorption and Dissociation of CO on Bare and Ni-Decorated Stepped Rh(553) Surfaces

Unravelling the Role of the Central Metal Ion in the Electronic Structure of Tris(8-hydroxyquinoline) Metal Chelates: Photoemission Spectroscopy and Hybrid Functional Calculations

Effect of Au proximity on the LSMO surface: An ab initio study

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