Virtual screening of nitrogen-, phosphorous- and halide-containing materials as p-type transparent conductors

In this work, a high-throughput screening of binary and ternary pnictide- and halide-based compounds is performed to identify promising p-type transparent conductors. Our investigation profits from the emergence of open-access databases based on ab-initio results. The band gap, stability, hole effec...

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Veröffentlicht in:	JPhys materials 2021-01, Vol.4 (1), p.15004
Hauptverfasser:	Wiebeler, Hendrik, Raghupathy, Ramya Kormath Madam, Mirhosseini, Hossein, D Kühne, Thomas
Format:	Artikel
Sprache:	eng
Schlagworte:	Conductors Group 5A compounds high-throughput calculations Screening transparent conductors virtual materials screening
Online-Zugang:	Volltext
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