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Collective dipole effects in ionic transport under electric fields

Nature communications, 2020-07, Vol.11 (1), p.3330-3330, Article 3330

2020

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Photoactivated processes in optical fibers: generation and conversion mechanisms of twofold coordinated Si and Ge atoms

Nanotechnology, 2017-05, Vol.28 (19), p.195202-195202

2017

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v-P2O5 micro-clustering in P-doped silica studied by a first-principles Raman investigation

Scientific reports, 2019-05, Vol.9 (1), p.7126-7126, Article 7126

2019

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High-pressure lattice dynamics and thermoelasticity of MgO

Physical review. B, Condensed matter, 2000-04, Vol.61 (13), p.8793-8800

2000

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First-Principles Determination of Elastic Anisotropy and Wave Velocities of MgO at Lower Mantle Conditions

Science (American Association for the Advancement of Science), 1999-11, Vol.286 (5445), p.1705-1707

1999

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High-precision calculation of Hartree-Fock energy of crystals

Journal of computational chemistry, 2008-10, Vol.29 (13), p.2098-2106

2008

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Highly under-coordinated atoms at Rh surfaces: interplay of strain and coordination effects on core level shift

New journal of physics, 2007-05, Vol.9 (5), p.143-143

2007

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Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials

Physical review. B, 2020-02, Vol.101 (6), p.1, Article 064305

2020

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v-P 2 O 5 micro-clustering in P-doped silica studied by a first-principles Raman investigation

Scientific reports, 2019-12, Vol.9 (1), p.7126

2019

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Structure and dynamics of the missing-row reconstruction on O/Cu(0 0 1) and O/Ag(0 0 1)

Surface science, 2006-12, Vol.600 (23), p.5074-5079

2006

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On-surface and subsurface adsorption of oxygen on stepped Ag(2 1 0) and Ag(4 1 0) surfaces

Surface science, 2004-09, Vol.566 (2), p.1107-1111

2004

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Clusters of Defects as a Possible Origin of Random Telegraph Signal in Imager Devices: a DFT based Study

2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), 2021, p.128-132

2021

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Engineering the Reactivity of Metal Catalysts: A Model Study of Methane Dehydrogenation on Rh(111)

Journal of the American Chemical Society, 2004-12, Vol.126 (51), p.16732-16733

2004

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Phonon Softening and Superconductivity in Tellurium under Pressure

Physical review letters, 1996-08, Vol.77 (6), p.1151-1154

1996

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Structural and Electronic Properties of a Wide-Gap Quaternary Solid Solution: \(Zn, Mg\) \(S, Se\)

Physical review letters, 1998-06, Vol.80 (22), p.4939-4942

1998

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Multilayer thermal expansion of Be(0001) determined from surface core level shifts

Europhysics letters, 2003-11, Vol.64 (3), p.364-370

2003

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Theory of the Anomalous Rayleigh Dispersion at H/W(110) Surfaces

Physical review letters, 1996-09, Vol.77 (12), p.2491-2494

1996

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Advanced capabilities for materials modelling with Quantum ESPRESSO

Journal of physics. Condensed matter, 2017-11, Vol.29 (46), p.465901-465901

2017

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Floating bonds and gap states in a-Si and a-Si:H from first principles calculations

Europhysics letters, 1999-08, Vol.47 (4), p.481-486

1999

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The Ni3Al(111) surface structure: experiment and theory

Journal of physics. Condensed matter, 2008-05, Vol.20 (19), p.195223-195223 (7)

2008

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Electron-phonon interaction at the Be(0001) surface

Physical review letters, 2003-10, Vol.91 (16), p.166803-166803, Article 166803

2003

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Structural and elastic properties of strained Mg1−xSrxSe revealed

Solid state communications, 2014-01, Vol.178, p.46-49

2014

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Advanced capabilities for materials modelling with Quantum ESPRESSO

Journal of physics. Condensed matter, 2017-11, Vol.29 (46), p.465901

2017

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Electronic and Atomistic Structures of Clean and Reduced Ceria Surfaces

The journal of physical chemistry. B, 2005-12, Vol.109 (48), p.22860-22867

2005

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Phonons and related crystal properties from density-functional perturbation theory

Reviews of modern physics, 2001-04, Vol.73 (2), p.515-562

2001

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Collective dipole effects in ionic transport under electric fields

Photoactivated processes in optical fibers: generation and conversion mechanisms of twofold coordinated Si and Ge atoms

v-P2O5 micro-clustering in P-doped silica studied by a first-principles Raman investigation

High-pressure lattice dynamics and thermoelasticity of MgO

First-Principles Determination of Elastic Anisotropy and Wave Velocities of MgO at Lower Mantle Conditions

High-precision calculation of Hartree-Fock energy of crystals

Highly under-coordinated atoms at Rh surfaces: interplay of strain and coordination effects on core level shift

Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials

v-P 2 O 5 micro-clustering in P-doped silica studied by a first-principles Raman investigation

Structure and dynamics of the missing-row reconstruction on O/Cu(0 0 1) and O/Ag(0 0 1)

On-surface and subsurface adsorption of oxygen on stepped Ag(2 1 0) and Ag(4 1 0) surfaces

Clusters of Defects as a Possible Origin of Random Telegraph Signal in Imager Devices: a DFT based Study

Engineering the Reactivity of Metal Catalysts: A Model Study of Methane Dehydrogenation on Rh(111)

Phonon Softening and Superconductivity in Tellurium under Pressure

Structural and Electronic Properties of a Wide-Gap Quaternary Solid Solution: \(Zn, Mg\) \(S, Se\)

Multilayer thermal expansion of Be(0001) determined from surface core level shifts

Theory of the Anomalous Rayleigh Dispersion at H/W(110) Surfaces

Advanced capabilities for materials modelling with Quantum ESPRESSO

Floating bonds and gap states in a-Si and a-Si:H from first principles calculations

The Ni3Al(111) surface structure: experiment and theory

Electron-phonon interaction at the Be(0001) surface

Structural and elastic properties of strained Mg1−xSrxSe revealed

Advanced capabilities for materials modelling with Quantum ESPRESSO

Electronic and Atomistic Structures of Clean and Reduced Ceria Surfaces

Phonons and related crystal properties from density-functional perturbation theory

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