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Phase Switching as the Origin of Large Piezoelectric Response in Organic-Inorganic Perovskites: A First-Principles Study

Physical review letters, 2020-11, Vol.125 (20), p.207601-207601, Article 207601

2020

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First-principles study of phase stability, electronic and mechanical properties of plutonium sub-oxides

Physical chemistry chemical physics : PCCP, 2019-08, Vol.21 (3), p.16818-16829

2019

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Negative Linear Compressibility in Organic–Inorganic Hybrid Perovskite [NH2NH3]X(HCOO)3 (X = Mn, Fe, Co)

The journal of physical chemistry letters, 2022-04, Vol.13 (13), p.3143-3149

2022

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Negative Linear Compressibility in [NH3NH2]Co(HCOO)3 and Its Structural Origin Revealed from First Principles

The journal of physical chemistry letters, 2021-08, Vol.12 (31), p.7560-7565

2021

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Unusual Properties of Hydrogen-Bonded Ferroelectrics: The Case of Cobalt Formate

Physical review letters, 2022-02, Vol.128 (7), p.077601-077601, Article 077601

2022

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Role of various defects in the photoluminescence characteristics of nanocrystalline Nd2Zr2O7: an investigation through spectroscopic and DFT calculations

2016-01

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Optical properties of undoped, Eu3+ doped and Li+ co-doped Y2Hf2O7 nanoparticles and polymer nanocomposite films

Inorganic chemistry frontiers, 2020-01, Vol.7 (2), p.505-518

2020

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A computational study of high pressure polymorphic transformations in monazite-type LaPO4

Physical chemistry chemical physics : PCCP, 2018-03, Vol.2 (11), p.7621-7634

2018

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Defect properties and solution energies of dopants in NASICON-type LiGe2(PO4)3 solid electrolyte: a first-principles study

Physical chemistry chemical physics : PCCP, 2023-11, Vol.25 (45), p.31230-31237

2023

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Evidence of vacancy ordered structures in PuO2−x and AmO2−x from first-principles calculations

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (20), p.14117-14125

2023

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Evidence of vacancy ordered structures in PuO 2- x and AmO 2- x from first-principles calculations

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (20), p.14117-14125

2023

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Ultraviolet photodetection characteristics of Zinc oxide thin films and nanostructures

IOP conference series. Materials Science and Engineering, 2016-02, Vol.115 (1), p.12035-12041

2016

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Nature of defects in blue light emitting CaZrO3: spectroscopic and theoretical study

2015-01

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Structural, thermodynamic, electronic and elastic properties of Th 1-x U x O 2 and Th 1-x Pu x O 2 mixed oxides

Physical chemistry chemical physics : PCCP, 2020-03, Vol.22 (11), p.6406-6417

2020

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Structural, thermodynamic, electronic and elastic properties of Th1−xUxO2 and Th1−xPuxO2 mixed oxides

Physical chemistry chemical physics : PCCP, 2020-03, Vol.22 (11), p.6406-6417

2020

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Energy transfer dynamics and luminescence properties of Eu(3+) in CaMoO4 and SrMoO4

Dalton transactions : an international journal of inorganic chemistry, 2015-11, Vol.44 (43), p.18957-18969

2015

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Tunability of Structure, Polarization, and Band Gap of High T C Organic–Inorganic Ferroelectrics by Hydrostatic Pressure: First-Principles Study

Journal of physical chemistry. C, 2021-07, Vol.125 (29), p.16296-16303

2021

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Improvement in structural and dielectric properties of sputtered Ta2O5 thin film by post-deposition annealing

Applied physics. A, Materials science & processing, 2024-10, Vol.130 (10), Article 704

2024

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Structural, Electrical, and Electromechanical Properties of Inverse Hybrid Perovskites from First-Principles: The Case of (CH3NH3)3OI

Journal of physical chemistry. C, 2021-04, Vol.125 (16), p.8794-8802

2021

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Chemical ordering as a precursor to formation of ordered δ-UZr2 phase: a theoretical and experimental study

Journal of physics. Condensed matter, 2021-06, Vol.33 (25)

2021

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Necrotizing granulomatous meningoencephalitis due to Balamuthia in an immunocompetent child

Neurology, 2011-08, Vol.77 (8), p.801-802

2011

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Defect induced ferromagnetism in MgO and its exceptional enhancement upon thermal annealing: a case of transformation of various defect states

Physical chemistry chemical physics : PCCP, 2017-05, Vol.19 (19), p.11975-11989

2017

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Ab-initio study of charged oxygen defects in Nd2Zr2O7

AIP Conference Proceedings, 2020, Vol.2265 (1)

2020

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Multifunctional pure and Eu(3+) doped β-Ag2MoO4: photoluminescence, energy transfer dynamics and defect induced properties

Dalton transactions : an international journal of inorganic chemistry, 2015-11, Vol.44 (44), p.19097-19110

2015

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A study on the evolution of ω-phase in Zr-20Nb alloy under the influence of electron irradiation

Journal of alloys and compounds, 2022-05, Vol.904, p.163968, Article 163968

2022

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Phase Switching as the Origin of Large Piezoelectric Response in Organic-Inorganic Perovskites: A First-Principles Study

First-principles study of phase stability, electronic and mechanical properties of plutonium sub-oxides

Negative Linear Compressibility in Organic–Inorganic Hybrid Perovskite [NH2NH3]X(HCOO)3 (X = Mn, Fe, Co)

Negative Linear Compressibility in [NH3NH2]Co(HCOO)3 and Its Structural Origin Revealed from First Principles

Unusual Properties of Hydrogen-Bonded Ferroelectrics: The Case of Cobalt Formate

Role of various defects in the photoluminescence characteristics of nanocrystalline Nd2Zr2O7: an investigation through spectroscopic and DFT calculations

Optical properties of undoped, Eu3+ doped and Li+ co-doped Y2Hf2O7 nanoparticles and polymer nanocomposite films

A computational study of high pressure polymorphic transformations in monazite-type LaPO4

Defect properties and solution energies of dopants in NASICON-type LiGe2(PO4)3 solid electrolyte: a first-principles study

Evidence of vacancy ordered structures in PuO2−x and AmO2−x from first-principles calculations

Evidence of vacancy ordered structures in PuO 2- x and AmO 2- x from first-principles calculations

Ultraviolet photodetection characteristics of Zinc oxide thin films and nanostructures

Nature of defects in blue light emitting CaZrO3: spectroscopic and theoretical study

Structural, thermodynamic, electronic and elastic properties of Th 1-x U x O 2 and Th 1-x Pu x O 2 mixed oxides

Structural, thermodynamic, electronic and elastic properties of Th1−xUxO2 and Th1−xPuxO2 mixed oxides

Energy transfer dynamics and luminescence properties of Eu(3+) in CaMoO4 and SrMoO4

Tunability of Structure, Polarization, and Band Gap of High T C Organic–Inorganic Ferroelectrics by Hydrostatic Pressure: First-Principles Study

Improvement in structural and dielectric properties of sputtered Ta2O5 thin film by post-deposition annealing

Structural, Electrical, and Electromechanical Properties of Inverse Hybrid Perovskites from First-Principles: The Case of (CH3NH3)3OI

Chemical ordering as a precursor to formation of ordered δ-UZr2 phase: a theoretical and experimental study

Necrotizing granulomatous meningoencephalitis due to Balamuthia in an immunocompetent child

Defect induced ferromagnetism in MgO and its exceptional enhancement upon thermal annealing: a case of transformation of various defect states

Ab-initio study of charged oxygen defects in Nd2Zr2O7

Multifunctional pure and Eu(3+) doped β-Ag2MoO4: photoluminescence, energy transfer dynamics and defect induced properties

A study on the evolution of ω-phase in Zr-20Nb alloy under the influence of electron irradiation

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