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Importance of van der Waals interaction on structural, vibrational, and thermodynamic properties of NaCl

Solid state communications, 2018-05, Vol.273, p.11-16

2018

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Spontaneous electric polarization and electric field gradient in hybrid improper ferroelectrics: insights and correlations

Journal of materials chemistry. C, Materials for optical and electronic devices, 2021-06, Vol.9 (22), p.75-713

2021

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Cadmium-based ferroelectrics with the Ruddlesden-Popper and double perovskite structures: a theoretical study

Journal of materials chemistry. C, Materials for optical and electronic devices, 2020-11, Vol.8 (41), p.1457-14578

2020

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Group IV Graphene- and Graphane-Like Nanosheets

Journal of physical chemistry. C, 2011-07, Vol.115 (27), p.13242-13246

2011

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Hyperfine interactions in silicon quantum dots

Physical review. B, Condensed matter and materials physics, 2011-04, Vol.83 (16), Article 165301

2011

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Stability of calcium and magnesium carbonates at Earth's lower mantle thermodynamic conditions

Earth and planetary science letters, 2019-01, Vol.506, p.1-7

2019

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Carbon-Related Bilayers: Nanoscale Building Blocks for Self-Assembly Nanomanufacturing

Journal of physical chemistry. C, 2019-09, Vol.123 (37), p.23195-23204

2019

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Aluminum functionalized few-layer silicene as anode material for alkali metal ion batteries

Molecular systems design & engineering, 2023-03, Vol.8 (3), p.379-387

2023

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Calcium carbonate at high pressures and high temperatures: A first-principles investigation

Physics of the earth and planetary interiors, 2020-02, Vol.299, p.106327, Article 106327

2020

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Tuning the Electronic and Mechanical Properties of Two-Dimensional Diamond through N and B Doping

ACS applied electronic materials, 2024-01, Vol.6 (1), p.386-393

2024

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On the stability of calcium and cadmium based Ruddlesden-Popper and double perovskite structures

Journal of materials chemistry. C, Materials for optical and electronic devices, 2021-11, Vol.9 (42), p.1574-1582

2021

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General procedure for the calculation of accurate defect excitation energies from DFT-1/2 band structures: The case of the NV − center in diamond

Physical review. B, 2017-08, Vol.96 (7), Article 075145

2017

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Group Theory Analysis to Study Phase Transitions of Quasi-2D Sr3Hf2O7

Nanomaterials (Basel, Switzerland), 2021-03, Vol.11 (4), p.897

2021

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Electrically active centers in partial dislocations in semiconductors

Physica. B, Condensed matter, 2001-12, Vol.308, p.489-492

2001

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Theoretical study of the influence of vacancies in the magnetic stability of V-, Cr-, and Mn-doped SnO2

Applied surface science, 2013-02, Vol.267, p.115-118

2013

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Study of the oxygen vacancy influence on magnetic properties of Fe- and Co-doped SnO2 diluted alloys

Nanoscale research letters, 2012-09, Vol.7 (1), p.540-540, Article 540

2012

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Magnetic and electronic properties of Sn1–xCrxO2 diluted alloys

Materials science & engineering. B, Solid-state materials for advanced technology, 2011-10, Vol.176 (17), p.1378-1381

2011

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Electronic and magnetic properties of SnO2/CrO2 thin superlattices

Nanoscale research letters, 2011-02, Vol.6 (1), p.146-146, Article 146

2011

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Magnetic and electronic properties of Sn 1– x Cr x O 2 diluted alloys

Materials science & engineering. B, Solid-state materials for advanced technology, 2011, Vol.176 (17), p.1378-1381

2011

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Reconstruction defects on partial dislocations in semiconductors

Applied physics letters, 2001-11, Vol.79 (22), p.3630-3632

2001

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Ab initio investigations on the dislocation core properties in zinc-blende semiconductors

Computational materials science, 2004-05, Vol.30 (1), p.67-72

2004

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Manganese Impurity in Boron Nitride and Gallium Nitride

Materials Science Forum, 2005-05, Vol.483-485, p.1047-1050

2005

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3d-Transition Metals in Cubic and Hexagonal Silicon Carbide

Materials Science Forum, 2005-05, Vol.483-485, p.531-534

2005

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Structural and Electronic Properties of Si1-xCxO2

Materials Science Forum, 2005-05, Vol.483-485, p.577-580

2005

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Nickel-Vacancy Complexes in Diamond: An Ab-Initio Investigation

Materials Science Forum, 2005-05, Vol.483-485, p.1043-1046

2005

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Importance of van der Waals interaction on structural, vibrational, and thermodynamic properties of NaCl

Spontaneous electric polarization and electric field gradient in hybrid improper ferroelectrics: insights and correlations

Cadmium-based ferroelectrics with the Ruddlesden-Popper and double perovskite structures: a theoretical study

Group IV Graphene- and Graphane-Like Nanosheets

Hyperfine interactions in silicon quantum dots

Stability of calcium and magnesium carbonates at Earth's lower mantle thermodynamic conditions

Carbon-Related Bilayers: Nanoscale Building Blocks for Self-Assembly Nanomanufacturing

Aluminum functionalized few-layer silicene as anode material for alkali metal ion batteries

Calcium carbonate at high pressures and high temperatures: A first-principles investigation

Tuning the Electronic and Mechanical Properties of Two-Dimensional Diamond through N and B Doping

On the stability of calcium and cadmium based Ruddlesden-Popper and double perovskite structures

General procedure for the calculation of accurate defect excitation energies from DFT-1/2 band structures: The case of the NV − center in diamond

Group Theory Analysis to Study Phase Transitions of Quasi-2D Sr3Hf2O7

Electrically active centers in partial dislocations in semiconductors

Theoretical study of the influence of vacancies in the magnetic stability of V-, Cr-, and Mn-doped SnO2

Study of the oxygen vacancy influence on magnetic properties of Fe- and Co-doped SnO2 diluted alloys

Magnetic and electronic properties of Sn1–xCrxO2 diluted alloys

Electronic and magnetic properties of SnO2/CrO2 thin superlattices

Magnetic and electronic properties of Sn 1– x Cr x O 2 diluted alloys

Reconstruction defects on partial dislocations in semiconductors

Ab initio investigations on the dislocation core properties in zinc-blende semiconductors

Manganese Impurity in Boron Nitride and Gallium Nitride

3d-Transition Metals in Cubic and Hexagonal Silicon Carbide

Structural and Electronic Properties of Si1-xCxO2

Nickel-Vacancy Complexes in Diamond: An Ab-Initio Investigation

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