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Electronic Structure Panorama of Halide Perovskites: Approximated DFT-1/2 Quasiparticle and Relativistic Corrections

Journal of physical chemistry. C, 2020-08, Vol.124 (34), p.18390-18400

2020

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Tunable Band Gap and Rhombohedral Distortion in Lead-Free CsSn 1– x Ge x I 3 Mixed Perovskites

Journal of physical chemistry. C, 2021-10, Vol.125 (39), p.21740-21747

2021

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Atomistic Origins of Enhanced Band Gap, Miscibility, and Oxidation Resistance in α-CsPb 1– x Sn x I 3 Mixed Perovskite

Journal of physical chemistry. C, 2020-12, Vol.124 (48), p.26124-26133

2020

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DFT-1/2 method applied to 3D topological insulators

Journal of physics. Condensed matter, 2022-11, Vol.34 (46), p.465501

2022

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First-Principles Study of Electronic Properties of Cesium Chloride Double Perovskites Using a DFT-1/2 Approach

Journal of physical chemistry. C, 2022-09, Vol.126 (36), p.15065-15071

2022

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DFT-1/2 method applied to 2D topological insulators: fluorinated and hydrogenated group-IV honeycomb systems

Journal of physics. Condensed matter, 2021-10, Vol.33 (43), p.435501

2021

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Relativistic DFT-1/2 Calculations Combined with a Statistical Approach for Electronic and Optical Properties of Mixed Metal Hybrid Perovskites

The journal of physical chemistry letters, 2019-08, Vol.10 (15), p.4245-4251

2019

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Efficient calculation of excitonic effects in solids including approximated quasiparticle energies

Journal of physics. Condensed matter, 2020-09, Vol.32 (40), p.405505

2020

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Thermodynamic Stability and Structural Insights for CH3NH3Pb1−xSixI3, CH3NH3Pb1−xGexI3, and CH3NH3Pb1−xSnxI3 Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations

Scientific reports, 2019-07, Vol.9 (1), p.11061-11061, Article 11061

2019

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Accurate and Efficient Approximate Quasiparticle DFT‐1/2 Band Structure Calculations of Transition Metal Oxide Perovskites

physica status solidi (b), 2022-06, Vol.259 (6), p.n/a

2022

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Thermodynamic and electronic properties of ( Bi 1 − x Sb x ) 2 Se 3 topological insulator alloy

Physical review. B, 2024-06, Vol.109 (23), Article 235150

2024

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Thermodynamic Stability and Structural Insights for CH 3 NH 3 Pb 1-x Si x I 3 , CH 3 NH 3 Pb 1-x Ge x I 3 , and CH 3 NH 3 Pb 1-x Sn x I 3 Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations

Scientific reports, 2019-07, Vol.9 (1), p.11061

2019

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Thermodynamic Stability and Structural Insights for CH3NH3Pb1−x Si x I3, CH3NH3Pb1−x Ge x I3, and CH3NH3Pb1−x Sn x I3 Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations

Scientific reports, 2019-07, Vol.9, p.1-15

2019

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Tunable Band Gap and Rhombohedral Distortion in Lead-Free CsSn1–x Ge x I3 Mixed Perovskites

Journal of physical chemistry. C, 2021-10, Vol.125 (39), p.21740-21747

2021

Volltextzugriff (PDF)

Atomistic Origins of Enhanced Band Gap, Miscibility, and Oxidation Resistance in α‑CsPb1–x Sn x I3 Mixed Perovskite

Journal of physical chemistry. C, 2020-12, Vol.124 (48), p.26124-26133

2020

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Electronic Structure Panorama of Halide Perovskites: Approximated DFT-1/2 Quasiparticle and Relativistic Corrections

Tunable Band Gap and Rhombohedral Distortion in Lead-Free CsSn 1– x Ge x I 3 Mixed Perovskites

Atomistic Origins of Enhanced Band Gap, Miscibility, and Oxidation Resistance in α-CsPb 1– x Sn x I 3 Mixed Perovskite

DFT-1/2 method applied to 3D topological insulators

First-Principles Study of Electronic Properties of Cesium Chloride Double Perovskites Using a DFT-1/2 Approach

DFT-1/2 method applied to 2D topological insulators: fluorinated and hydrogenated group-IV honeycomb systems

Relativistic DFT-1/2 Calculations Combined with a Statistical Approach for Electronic and Optical Properties of Mixed Metal Hybrid Perovskites

Efficient calculation of excitonic effects in solids including approximated quasiparticle energies

Thermodynamic Stability and Structural Insights for CH3NH3Pb1−xSixI3, CH3NH3Pb1−xGexI3, and CH3NH3Pb1−xSnxI3 Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations

Accurate and Efficient Approximate Quasiparticle DFT‐1/2 Band Structure Calculations of Transition Metal Oxide Perovskites

Thermodynamic and electronic properties of ( Bi 1 − x Sb x ) 2 Se 3 topological insulator alloy

Thermodynamic Stability and Structural Insights for CH 3 NH 3 Pb 1-x Si x I 3 , CH 3 NH 3 Pb 1-x Ge x I 3 , and CH 3 NH 3 Pb 1-x Sn x I 3 Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations

Thermodynamic Stability and Structural Insights for CH3NH3Pb1−x Si x I3, CH3NH3Pb1−x Ge x I3, and CH3NH3Pb1−x Sn x I3 Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations

Tunable Band Gap and Rhombohedral Distortion in Lead-Free CsSn1–x Ge x I3 Mixed Perovskites

Atomistic Origins of Enhanced Band Gap, Miscibility, and Oxidation Resistance in α‑CsPb1–x Sn x I3 Mixed Perovskite

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