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

Wiebeler H, Raghupathy RKM, Mirhosseini H, Kühne TD (2021)

Publication Type: Journal article

Publication year: 2021

Journal

JPhys Materials Institute of Physics (IOP)

Book Volume: 4

Article Number: 015004

Journal Issue: 1

DOI: 10.1088/2515-7639/abc762

Abstract

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 effective mass, and p-type dopability are employed for the materials screening and the validity of these descriptors is discussed. Among the final candidates, BaSiN2 is the most promising compound.

Involved external institutions

Universität Paderborn DE Germany (DE)

How to cite

APA:

Wiebeler, H., Raghupathy, R.K.M., Mirhosseini, H., & Kühne, T.D. (2021). Virtual screening of nitrogen-, phosphorous- And halide-containing materials as p-type transparent conductors. JPhys Materials, 4(1). https://doi.org/10.1088/2515-7639/abc762

MLA:

Wiebeler, Hendrik, et al. "Virtual screening of nitrogen-, phosphorous- And halide-containing materials as p-type transparent conductors." JPhys Materials 4.1 (2021).

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