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Page 1 of 8

Empirical tight-binding method for large-supercell simulations of disordered semiconductor alloys

arXiv
2024 | Other
EID:

2-s2.0-85184157208

Part of ISSN: 23318422
Contributors: Phan, A.-L.; Pecchia, A.; Vito, A.D.; der Maur, M.A.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Empirical tight-binding method for large-supercell simulations of disordered semiconductor alloys

Physica Scripta
2024 | Journal article
EID:

2-s2.0-85194839792

Part of ISSN: 14024896 00318949
Contributors: Phan, A.-L.; Pecchia, A.; Di Vito, A.; Auf der Maur, M.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Empirical Tight-Binding Parameterizations for Accurate Heterostructure and Alloy Calculations

Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD
2024 | Conference paper
EID:

2-s2.0-85208640743

Part of ISBN: 9798350390537
Part of ISSN: 21583234
Contributors: Phan, A.-L.; Soccodato, D.; Di Vito, A.; Pecchia, A.; Der Maur, M.A.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Machine learned environment-dependent corrections for a spds<sup>∗</sup> empirical tight-binding basis

Machine Learning: Science and Technology
2024 | Journal article
EID:

2-s2.0-85193018711

Part of ISSN: 26322153
Contributors: Soccodato, D.; Penazzi, G.; Pecchia, A.; Phan, A.-L.; Auf der Maur, M.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Reinforcement of Polylactic Acid / Poly Butylene Adipate-co-Terephthalate blends by starch addition: A coupled computational and experimental study

Colloids and Surfaces A: Physicochemical and Engineering Aspects
2024 | Journal article
EID:

2-s2.0-85182908222

Part of ISSN: 18734359 09277757
Contributors: Caputo, P.; Calandra, P.; Pecchia, A.; Tirri, B.; Mercuri, F.; Lo Celso, F.; Testa, F.; Loise, V.; Oliviero Rossi, C.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

DFTBephy: A DFTB-based approach for electron--phonon coupling calculations

Journal of Computational Electronics
2023 | Journal article
Contributors: Croy, Alexander; Unsal, Elif; Biele, Robert; Pecchia, Alessandro
Source: Self-asserted source
Alessandro Pecchia

DFTBephy: A DFTB-based approach for electron–phonon coupling calculations

Journal of Computational Electronics
2023 | Journal article
EID:

2-s2.0-85153891401

Part of ISSN: 15728137 15698025
Contributors: Croy, A.; Unsal, E.; Biele, R.; Pecchia, A.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Empirical tight-binding simulations for nonuniform disordered GaAsSb alloy

Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD
2023 | Conference paper
EID:

2-s2.0-85175204660

Part of ISBN: 9798350314298
Part of ISSN: 21583234
Contributors: Phan, A.-L.; Di Vito, A.; Pecchia, A.; Auf Der Maur, M.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Glass-like Transport Dominates Ultralow Lattice Thermal Conductivity in Modular Crystalline Bi<sub>4</sub>O<sub>4</sub>SeCl<sub>2</sub>

Nano Letters
2023 | Journal article
EID:

2-s2.0-85175270219

Part of ISSN: 15306992 15306984
Contributors: Tong, Z.; Pecchia, A.; Yam, C.; Dumitrică, T.; Frauenheim, T.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Impact of Local Composition on the Emission Spectra of InGaN Quantum-Dot LEDs

Nanomaterials
2023 | Journal article
Contributors: Barettin, Daniele; Sakharov, Alexei V; Tsatsulnikov, Andrey F; Nikolaev, Andrey E; Pecchia, Alessandro; auf Der Maur, Matthias; Karpov, Sergey Yu; Cherkashin, Nikolay
Source: Self-asserted source
Alessandro Pecchia

Impact of Local Composition on the Emission Spectra of InGaN Quantum-Dot LEDs

Nanomaterials
2023 | Journal article
EID:

2-s2.0-85163119832

Part of ISSN: 20794991
Contributors: Barettin, D.; Sakharov, A.V.; Tsatsulnikov, A.F.; Nikolaev, A.E.; Pecchia, A.; Auf der Maur, M.; Karpov, S.Y.; Cherkashin, N.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier
grade
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Metadata definition and database implementation for searchable Raman-spectroscopy data handling

Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD
2023 | Conference paper
EID:

2-s2.0-85175164868

Part of ISBN: 9798350314298
Part of ISSN: 21583234
Contributors: Lavagno, I.; Pecchia, A.; Di Vito, A.; Der Maur, M.A.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Multiscale Approaches for Electronic Device Simulation

2023 IEEE Nanotechnology Materials and Devices Conference, NMDC 2023
2023 | Conference paper
EID:

2-s2.0-85182015905

Part of ISBN: 9798350335460
Contributors: Der Maur, M.A.; Phan, A.-L.; Soccodato, D.; Vito, A.D.; Pecchia, A.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Predicting the Lattice Thermal Conductivity in Nitride Perovskite LaWN3 from ab initio Lattice Dynamics

Advanced Science
2023 | Journal article
Contributors: Tong, Zhen; Zhang, Yatian; Pecchia, Alessandro; Yam, ChiYung; Zhou, Liujiang; Dumitrică, Traian; Frauenheim, Thomas
Source: Self-asserted source
Alessandro Pecchia

Predicting the Lattice Thermal Conductivity in Nitride Perovskite LaWN<sub>3</sub> from ab initio Lattice Dynamics

Advanced Science
2023 | Journal article
EID:

2-s2.0-85147021252

Part of ISSN: 21983844
Contributors: Tong, Z.; Zhang, Y.; Pecchia, A.; Yam, C.; Zhou, L.; Dumitrică, T.; Frauenheim, T.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier
grade
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Anisotropic phononic and electronic thermal transport in BeN4

The Journal of Physical Chemistry Letters
2022 | Journal article
Contributors: Tong, Zhen; Pecchia, Alessandro; Yam, ChiYung; Zhou, Liujiang; Dumitrica, Traian; Frauenheim, Thomas
Source: Self-asserted source
Alessandro Pecchia

Anisotropic Phononic and Electronic Thermal Transport in BeN<sub>4</sub>

Journal of Physical Chemistry Letters
2022 | Journal article
EID:

2-s2.0-85131106583

Part of ISSN: 19487185
Contributors: Tong, Z.; Pecchia, A.; Yam, C.; Zhou, L.; Dumitricǎ, T.; Frauenheim, T.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (vol 152, 124101, 2020)

JOURNAL OF CHEMICAL PHYSICS
2022 | Journal article
Contributors: Hourahine, B; Aradi, B; Blum, V; Bonafe, F; Buccheri, A; Camacho, C; Cevallos, C; Deshaye, MY; Dumitrica, T; Dominguez, A et al.
Source: Self-asserted source
Alessandro Pecchia

Erratum: DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (Journal of Chemical Physics (2020) 152 (124101) DOI: 10.1063/1.5143190)

Journal of Chemical Physics
2022 | Journal article
EID:

2-s2.0-85135202156

Part of ISSN: 10897690 00219606
Contributors: Hourahine, B.; Aradi, B.; Blum, V.; Bonafé, F.; Buccheri, A.; Camacho, C.; Cevallos, C.; Deshaye, M.Y.; Dumitrica, T.; Dominguez, A. et al.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Erratum:�DFTB+, a software package for efficient approximate density functional theory based atomistic simulations�[J. Chem. Phys. 152, 124101 (2020)]

The Journal of Chemical Physics
2022 | Journal article
Contributors: Hourahine, B; Aradi, B; Blum, V; Bonafé, F; Buccheri, A; Camacho, C; Cevallos, C; Deshaye, MY; Dumitrică, T; Dominguez, A et al.
Source: Self-asserted source
Alessandro Pecchia

Four-phonon and electron--phonon scattering effects on thermal properties in two-dimensional 2H-TaS 2

Nanoscale
2022 | Journal article
Contributors: Zhang, Yatian; Tong, Zhen; Pecchia, Alessandro; Yam, ChiYung; Dumitrică, Traian; Frauenheim, Thomas
Source: Self-asserted source
Alessandro Pecchia

Four-phonon and electron-phonon scattering effects on thermal properties in two-dimensional 2H-TaS<sub>2</sub>

Nanoscale
2022 | Journal article
EID:

2-s2.0-85138459362

Part of ISSN: 20403372 20403364
Contributors: Zhang, Y.; Tong, Z.; Pecchia, A.; Yam, C.; Dumitrică, T.; Frauenheim, T.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier
grade
Preferred source (of 2)‎

Significant increase of electron thermal conductivity in Dirac semimetal beryllonitrene by doping beyond van hove singularity

Advanced Functional Materials
2022 | Journal article
Contributors: Tong, Zhen; Pecchia, Alessandro; Yam, ChiYung; Bao, Hua; Dumitrică, Traian; Frauenheim, Thomas
Source: Self-asserted source
Alessandro Pecchia

Significant Increase of Electron Thermal Conductivity in Dirac Semimetal Beryllonitrene by Doping Beyond Van Hove Singularity

Advanced Functional Materials
2022 | Journal article
EID:

2-s2.0-85122650259

Part of ISSN: 16163028 1616301X
Contributors: Tong, Z.; Pecchia, A.; Yam, C.; Bao, H.; Dumitrică, T.; Frauenheim, T.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier
grade
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Ultrahigh Electron Thermal Conductivity in T-Graphene, Biphenylene, and Net-Graphene

Advanced Energy Materials
2022 | Journal article
EID:

2-s2.0-85129690715

Part of ISSN: 16146840 16146832
Contributors: Tong, Z.; Pecchia, A.; Yam, C.; Dumitrică, T.; Frauenheim, T.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Ultrahigh Electron Thermal Conductivity in T-Graphene, Biphenylene, and Net-Graphene (Adv. Energy Mater. 28/2022)

Advanced Energy Materials
2022 | Journal article
Contributors: Tong, Zhen; Pecchia, Alessandro; Yam, ChiYung; Dumitrică, Traian; Frauenheim, Thomas
Source: Self-asserted source
Alessandro Pecchia

Electromechanical field effects in InAs/GaAs quantum dots based on continuum k?˙ p? and atomistic tight-binding methods

Computational Materials Science
2021 | Journal article
Contributors: Barettin, Daniele; Pecchia, Alessandro; der Maur, Matthias Auf; Di Carlo, Aldo; Lassen, Benny; Willatzen, Morten
Source: Self-asserted source
Alessandro Pecchia

Electromechanical field effects in InAs/GaAs quantum dots based on continuum k→·p→ and atomistic tight-binding methods

Computational Materials Science
2021 | Journal article
EID:

2-s2.0-85109642652

Part of ISSN: 09270256
Contributors: Barettin, D.; Pecchia, A.; Auf der Maur, M.; Di Carlo, A.; Lassen, B.; Willatzen, M.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Non-equilibrium green functions approach to study transport through A-SI: H/C-SI interfaces

2021 Winter Simulation Conference (WSC)
2021 | Conference paper
Contributors: Pecchia, Alessandro; Buonocore, Francesco; Celino, Massimo; Giusepponi, Simone; Di Napoli, Edoardo; Achilles, Sebastian; Garcia-Muller, Pablo Luis; Mayo-Garcia, Rafael
Source: Self-asserted source
Alessandro Pecchia

Non-Equilibrium Green Functions Approach to Study Transport Through a-Si:H/c-Si Interfaces

Proceedings - Winter Simulation Conference
2021 | Conference paper
EID:

2-s2.0-85126126050

Part of ISBN: 9781665433112
Part of ISSN: 08917736
Contributors: Pecchia, A.; Buonocore, F.; Celino, M.; Giusepponi, S.; DI Napoli, E.; Achilles, S.; Garcia-Muller, P.L.; Mayo-Garcia, R.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Phononic thermal transport along graphene grain boundaries

arXiv
2021 | Other
EID:

2-s2.0-85170611113

Part of ISSN: 23318422
Contributors: Tong, Z.; Pecchia, A.; Yam, C.; Dumitricǎ, T.; Frauenheim, T.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Phononic thermal transport along graphene grain boundaries

arXiv preprint arXiv:2104.04361
2021 | Journal article
Contributors: Tong, Zhen; Pecchia, Alessandro; Yam, ChiYung; Dumitrica, Traian; Frauenheim, Thomas
Source: Self-asserted source
Alessandro Pecchia

Phononic thermal transport along graphene grain boundaries: a hidden vulnerability

Advanced Science
2021 | Journal article
Contributors: Tong, Zhen; Pecchia, Alessandro; Yam, ChiYung; Dumitrică, Traian; Frauenheim, Thomas
Source: Self-asserted source
Alessandro Pecchia

Phononic Thermal Transport along Graphene Grain Boundaries: A Hidden Vulnerability

Advanced Science
2021 | Journal article
EID:

2-s2.0-85110618952

Part of ISSN: 21983844
Contributors: Tong, Z.; Pecchia, A.; Yam, C.; Dumitrică, T.; Frauenheim, T.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier
grade
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Piezoelectric tunability and topological insulator transition in a GaN/InN/GaN quantum-well device

JPhys Materials
2021 | Journal article
EID:

2-s2.0-85105041036

Part of ISSN: 25157639
Contributors: Barettin, D.; Der Maur, M.A.; Pecchia, A.; Zhang, Y.; Willatzen, M.; Wang, Z.L.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Piezoelectric tunability and topological insulator transition in a GaN/InN/GaN quantum-well device

Journal of Physics: Materials
2021 | Journal article
Contributors: Barettin, Daniele; der Maur, Matthias Auf; Pecchia, Alessandro; Zhang, Yan; Willatzen, Morten; Wang, Zhong Lin
Source: Self-asserted source
Alessandro Pecchia

Role of Phase Nanosegregation in the Photoluminescence Spectra of Halide Perovskites

Journal of Physical Chemistry Letters
2021 | Journal article
EID:

2-s2.0-85120609037

Part of ISSN: 19487185
Contributors: Di Vito, A.; Pecchia, A.; Auf Der Maur, M.; Campanari, V.; Martelli, F.; Di Carlo, A.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Role of Phase Nanosegregation in the Photoluminescence Spectra of Halide Perovskites

The Journal of Physical Chemistry Letters
2021 | Journal article
Contributors: Di Vito, Alessia; Pecchia, Alessandro; Auf der Maur, Matthias; Campanari, Valerio; Martelli, Faustino; Di Carlo, Aldo
Source: Self-asserted source
Alessandro Pecchia

Tight binding simulations of tetragonal MAPbI 3 domains within orthorhombic phase

2021 International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD)
2021 | Conference paper
Contributors: Di Vito, A; Pecchia, A; der Maur, M Auf; Di Carlo, A
Source: Self-asserted source
Alessandro Pecchia

Tight binding simulations of tetragonal MAPbI<sub>3</sub>domains within orthorhombic phase

Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD
2021 | Conference paper
EID:

2-s2.0-85116329325

Part of ISBN: 9781665412766
Part of ISSN: 21583234
Contributors: Di Vito, A.; Pecchia, A.; Auf Der Maur, M.; Di Carlo, A.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

2D Material Engineering of Perovskite Solar Cells: the Emergence of MXenes

Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV19)
2020 | Conference paper
Contributors: Agresti, Antonio; Pescetelli, Sara; Pazniak, Hanna; Saranin, Danina; Rossi, Daniele; Auf der Maur, Matthias; Di Vito, Alessia; Pecchia, Alessandro; Liedl, Andrea; Larciprete, Rosanna et al.
Source: Self-asserted source
Alessandro Pecchia

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

Journal of Chemical Physics
2020 | Journal article
EID:

2-s2.0-85082648402

Part of ISSN: 10897690 00219606
Contributors: Hourahine, B.; Aradi, B.; Blum, V.; Bonafé, F.; Buccheri, A.; Camacho, C.; Cevallos, C.; Deshaye, M.Y.; Dumitric, T.Ä.; Dominguez, A. et al.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

The Journal of chemical physics
2020 | Journal article
Contributors: Hourahine, Ben; Aradi, Bálint; Blum, Volker; Bonafé, F; Buccheri, A; Camacho, Cristopher; Cevallos, Caterina; Deshaye, MY; Dumitrică, T; Dominguez, A et al.
Source: Self-asserted source
Alessandro Pecchia

DFTB+: 20.1

2020 | Journal article
Contributors: Hourahine, Ben; Aradi, Bálint; Pecchia, Alessandro; Ehlert, Sebastian; Bonafé, Franco P; Řezáč, Jan; Buccheri, Alex; Kranz, Julian J; Dominguez, Adriel; van der Heide, Tammo et al.
Source: Self-asserted source
Alessandro Pecchia

Nonlinear work function tuning of lead-halide perovskites by MXenes with mixed terminations

Advanced Functional Materials
2020 | Journal article
Contributors: Di Vito, Alessia; Pecchia, Alessandro; Auf der Maur, Matthias; Di Carlo, Aldo
Source: Self-asserted source
Alessandro Pecchia

Nonlinear Work Function Tuning of Lead-Halide Perovskites by MXenes with Mixed Terminations

Advanced Functional Materials
2020 | Journal article
EID:

2-s2.0-85079428421

Part of ISSN: 16163028 1616301X
Contributors: Di Vito, A.; Pecchia, A.; Auf der Maur, M.; Di Carlo, A.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier
grade
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Simulating random alloy effects in III-nitride light emitting diodes

Journal of Applied Physics
2020 | Journal article
EID:

2-s2.0-85089983139

Part of ISSN: 10897550 00218979
Contributors: Di Vito, A.; Pecchia, A.; Di Carlo, A.; Auf Der Maur, M.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier
grade
Preferred source (of 2)‎

Simulating random alloy effects in III-nitride light emitting diodes

Journal of Applied Physics
2020 | Journal article
Contributors: Di Vito, A; Pecchia, A; Di Carlo, A; Auf der Maur, M
Source: Self-asserted source
Alessandro Pecchia

Tight binding parameterization through particle swarm optimization algorithm

Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD
2020 | Conference paper
EID:

2-s2.0-85093927881

Part of ISBN: 9781728160863
Part of ISSN: 21583234
Contributors: Di Vito, A.; Pecchia, A.; Auf Der Maur, M.; Di Carlo, A.
Source: Self-asserted source
Alessandro Pecchia via Scopus - Elsevier

Tight binding parameterization through particle swarm optimization algorithm

2020 International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD)
2020 | Conference paper
Contributors: Di Vito, A; Pecchia, A; der Maur, M Auf; Di Carlo, A
Source: Self-asserted source
Alessandro Pecchia
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