First principle study of Germanium and Selenium doped monolayer black phosphorus

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Within the framework of density functional theory, we investigate the effects of dopants germanium and selenium on the electronic properties of monolayer black phosphorus. Dopants are introduced in two possible chemisorption and substitution configuration. Findings of this work suggest that germanium is optimal dopant in both the configurations since inpurity states need only low ionization energies to excite bound electrons to band edges. Band gap is tunable depending on dopant introduced. Selenium act as deep dopant in substitution configuration with increased band gap and in chemisorption configuration there is no effect on band gap where there is prominent increase in electron concentration.

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Journal: TechConnect Briefs
Volume: TechConnect Briefs 2019
Published: June 17, 2019
Pages: 286 - 289
Industry sector: Sensors, MEMS, Electronics
Topics: Nanoelectronics, Sensors - Chemical, Physical & Bio
ISBN: 978-0-9988782-8-7