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Synthesis, crystal structure, DFT, and photovoltaic studies of BaCeCuS3

New journal of chemistry, 2023-03, Vol.47 (11), p.5378-5389

2023

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Prediction of a switchable two-dimensional electron gas at ferroelectric oxide interfaces

Physical review letters, 2009-07, Vol.103 (1), p.016804-016804, Article 016804

2009

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Polarized Raman, infrared and dielectric spectra of lead-free K0.5Na0.5NbO3 piezoelectric system: insights from ab-initio theoretical and experimental studies

Journal of physics. Condensed matter, 2024-10, Vol.36 (42)

2024

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Influence of temperature on bandgap shifts, optical properties and photovoltaic parameters of GaAs/AlAs and GaAs/AlSb p–n heterojunctions: insights from ab-initio DFT + NEGF studies

Journal of physics. Condensed matter, 2024-05, Vol.36 (20), p.205504

2024

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Electron-phonon interaction effect on the photovoltaic parameters of indirect (direct) bandgap AlSb (GaSb) p-n junction solar cell devices: a density functional theoretical study

Physical chemistry chemical physics : PCCP, 2022-10, Vol.24 (39), p.24181-24191

2022

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Influence of phonon-assisted tunneling on photovoltaic properties of BaSi2 and BaGe2 p–n homojunction solar cell devices

Journal of applied physics, 2022-05, Vol.131 (18)

2022

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Theoretical investigation of lattice dynamics, infrared reflectivity, polarized Raman spectra and nature of interlayer coupling in two-dimensional layered gallium sulfide

Journal of physics. Condensed matter, 2021-10, Vol.33 (40), p.405001

2021

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Schottky barrier height and modulation due to interface structure and defects in Pt|MgO|Pt heterojunctions with implications for resistive switching

Journal of applied physics, 2020-05, Vol.127 (20)

2020

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Ba 14 Si 4 Sb 8 Te 32 (Te 3 ): hypervalent Te in a new structure type with low thermal conductivity

Dalton transactions : an international journal of inorganic chemistry, 2023-10, Vol.52 (42), p.15426-15439

2023

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Surface electronic structure, relaxations and thermodynamic energies of (100), (110) and (111) surfaces of Mg2Si: A first-principles theoretical study

Surface science, 2020-01, Vol.691, p.121506, Article 121506

2020

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Comprehensive investigation of microstructure, electrical and photocatalytic properties of K0.5Na0.5NbO3 lead- free ceramics prepared via different synthesis routes

Journal of materials science. Materials in electronics, 2023-11, Vol.34 (33), p.2214

2023

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Ba14Si4Sb8Te32(Te3): hypervalent Te in a new structure type with low thermal conductivity

Dalton transactions : an international journal of inorganic chemistry, 2023-10, Vol.52 (42), p.15426-15439

2023

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Electric field effect on magnetization at the Fe/MgO(001) interface

Applied physics letters, 2010-05, Vol.96 (22), p.222504-222504-3

2010

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Significance of Coulomb interaction in interlayer coupling, polarized Raman intensities, and infrared activities in the layered van der Waals semiconductor GaSe

Physical review. B, 2021-05, Vol.103 (19), p.1, Article 195437

Niranjan, Manish K.

2021

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Theoretical investigation of surface electronic structure and thermodynamic energies of (1x1) polar and nonpolar K1/2Bi1/2TiO3 (001) surfaces

The Journal of physics and chemistry of solids, 2019-12, Vol.135, p.109116, Article 109116

2019

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Theoretical investigation of electronic bandgaps of semiconducting single-walled carbon nanotubes using semi-empirical self-consistent tight binding and ab-inito density functional methods

Journal of physics communications, 2020-01, Vol.4 (1), p.15004

Niranjan, Manish K

2020

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Ba 4 FeAgS 6 : a new antiferromagnetic and semiconducting quaternary sulfide

Dalton transactions : an international journal of inorganic chemistry, 2023-01, Vol.52 (3), p.621-634

2023

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Optimum discharge energy density at room temperature in relaxor K1/2Bi1/2TiO3 for green energy harvesting

Journal of physics. D, Applied physics, 2018-03, Vol.51 (11)

2018

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Interface magnetoelectric effect and its sensitivity on interface structures in Fe/AgNbO3 and SrRuO3/AgNbO3 heterostructures: A first-principles investigation

Journal of magnetism and magnetic materials, 2021-01, Vol.517, p.167372, Article 167372

2021

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Germanium Antimony Bonding in Ba4Ge2Sb2Te10 with Low Thermal Conductivity

Inorganic chemistry, 2022-01, Vol.61 (2), p.968-981

2022

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Five coordinated Mn in Ba 4 Mn 2 Si 2 Te 9 : synthesis, crystal structure, physical properties, and electronic structure

Dalton transactions : an international journal of inorganic chemistry, 2022-06, Vol.51 (24), p.9265-9277

2022

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Ba3Zr2Cu4S9: the first quaternary phase of the Ba–Zr–Cu–S system

New journal of chemistry, 2022-07, Vol.46 (33), p.15976-15986

2022

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Syntheses and characterization of two new layered ternary chalcogenides NaScQ2 (Q = Se and Te)

New journal of chemistry, 2022-11, Vol.46 (46), p.22076-22087

2022

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Ba4FeAgS6: a new antiferromagnetic and semiconducting quaternary sulfide

Dalton transactions : an international journal of inorganic chemistry, 2023-01, Vol.52 (3), p.621-634

2023

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Five coordinated Mn in Ba4Mn2Si2Te9: synthesis, crystal structure, physical properties, and electronic structure

Dalton transactions : an international journal of inorganic chemistry, 2022-06, Vol.51 (24), p.9265-9277

2022

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Synthesis, crystal structure, DFT, and photovoltaic studies of BaCeCuS3

Prediction of a switchable two-dimensional electron gas at ferroelectric oxide interfaces

Polarized Raman, infrared and dielectric spectra of lead-free K0.5Na0.5NbO3 piezoelectric system: insights from ab-initio theoretical and experimental studies

Influence of temperature on bandgap shifts, optical properties and photovoltaic parameters of GaAs/AlAs and GaAs/AlSb p–n heterojunctions: insights from ab-initio DFT + NEGF studies

Electron-phonon interaction effect on the photovoltaic parameters of indirect (direct) bandgap AlSb (GaSb) p-n junction solar cell devices: a density functional theoretical study

Influence of phonon-assisted tunneling on photovoltaic properties of BaSi2 and BaGe2 p–n homojunction solar cell devices

Theoretical investigation of lattice dynamics, infrared reflectivity, polarized Raman spectra and nature of interlayer coupling in two-dimensional layered gallium sulfide

Schottky barrier height and modulation due to interface structure and defects in Pt|MgO|Pt heterojunctions with implications for resistive switching

Ba 14 Si 4 Sb 8 Te 32 (Te 3 ): hypervalent Te in a new structure type with low thermal conductivity

Surface electronic structure, relaxations and thermodynamic energies of (100), (110) and (111) surfaces of Mg2Si: A first-principles theoretical study

Comprehensive investigation of microstructure, electrical and photocatalytic properties of K0.5Na0.5NbO3 lead- free ceramics prepared via different synthesis routes

Ba14Si4Sb8Te32(Te3): hypervalent Te in a new structure type with low thermal conductivity

Electric field effect on magnetization at the Fe/MgO(001) interface

Significance of Coulomb interaction in interlayer coupling, polarized Raman intensities, and infrared activities in the layered van der Waals semiconductor GaSe

Theoretical investigation of surface electronic structure and thermodynamic energies of (1x1) polar and nonpolar K1/2Bi1/2TiO3 (001) surfaces

Theoretical investigation of electronic bandgaps of semiconducting single-walled carbon nanotubes using semi-empirical self-consistent tight binding and ab-inito density functional methods

Ba 4 FeAgS 6 : a new antiferromagnetic and semiconducting quaternary sulfide

Optimum discharge energy density at room temperature in relaxor K1/2Bi1/2TiO3 for green energy harvesting

Interface magnetoelectric effect and its sensitivity on interface structures in Fe/AgNbO3 and SrRuO3/AgNbO3 heterostructures: A first-principles investigation

Germanium Antimony Bonding in Ba4Ge2Sb2Te10 with Low Thermal Conductivity

Five coordinated Mn in Ba 4 Mn 2 Si 2 Te 9 : synthesis, crystal structure, physical properties, and electronic structure

Ba3Zr2Cu4S9: the first quaternary phase of the Ba–Zr–Cu–S system

Syntheses and characterization of two new layered ternary chalcogenides NaScQ2 (Q = Se and Te)

Ba4FeAgS6: a new antiferromagnetic and semiconducting quaternary sulfide

Five coordinated Mn in Ba4Mn2Si2Te9: synthesis, crystal structure, physical properties, and electronic structure

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