Charge carrier transport and lifetimes in n-type and p-type phosphorene as 2D device active materials: an ab initio study

Literature Information

Publication Date 2016-07-25
DOI 10.1039/C6CP03361J
Impact Factor 3.676
Authors

E. Tea


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Abstract

In this work, we provide a detailed analysis of phosphorene’s performance as an n-type and p-type active material. This study is based on first principles calculations of the phosphorene electronic structure, and the resulting electron and hole scattering rates and lifetimes. Emphasis is put on extreme regimes commonly found in semiconductor devices, i.e. high electric fields and heavy doping, where impact ionization and Auger recombination can occur. We found that electron-initiated impact ionization is weaker than the hole-initiated process, when compared to carrier–phonon interaction rates, suggesting resilience to impact ionization initiated breakdown. Moreover, calculated minority electron lifetimes are limited by radiative recombination only, not by Auger processes, suggesting that phosphorene could achieve good quantum efficiencies in optoelectronic devices. The provided scattering rates and lifetimes are critical input data for the modeling and understanding of phosphorene-based device physics.

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DOI: 10.1039/C5CP90208H

Contents list

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DOI: 10.1039/C5CP90221E

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DOI: 10.1039/C5CP90220G

Real-space numerical grid methods in quantum chemistry

Luca Frediani, Dage Sundholm

2015-11-03 Editorial

DOI: 10.1039/C5CP90198G

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DOI: 10.1039/C5CP90219C

Ultrafast excited state hydrogen atom transfer in salicylideneaniline driven by changes in aromaticity

Luis Gutiérrez-Arzaluz, Fernando Cortés-Guzmán, Tomás Rocha-Rinza, Jorge Peón

2015-08-06 Communication

DOI: 10.1039/C5CP03699B

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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