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Insights into first-principles characterization of the monoclinic VO<sub>2</sub>(B) polymorph <i>via</i> DFT + U calculation: electronic, magnetic and optical properties

Elaheh Mohebbi, Eleonora Pavoni, Davide Mencarelli, Pierluigi Stipa, Luca Pierantoni, Emiliano Laudadio

Nanoscale Advances · 2022 · 27 citations · 98 references

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Abstract

We have studied the structural, electronic, magnetic, and optical properties of the VO 2 (B) polymorph using first-principles calculations based on density functional theory (DFT).

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