Lawrence Berkeley National Laboratory

The present paper reports on the fabrication, detailed structural characterizations, and theoretical modeling of titanium nitride (TiN) and its isostructural oxide derivative, titanium oxynitride (TiNO) thin films that have excellent plasmonic properties and that also have the potential to overcome the limitation of noble metal and refractory metals. The TiNO films deposited at 700 °C in high vacuum conditions have the highest reflectance (R = ∼ 95%), largest negative dielectric constant (ε1 = -161), and maximal plasmonic figure of merit (FoM = -ε1/ε2) of 1.2, followed by the 600 °C samples deposited in a vacuum (R = ∼ 85%, ε1 = -145, FoM = 0.8) and 700 °C-5 mTorr sample (R = ∼ 82%, ε1 = -8, FoM = 0.3). To corroborate our experimental observations, we calculated the phonon dispersions and Raman active modes of TiNO by using the virtual crystal approximation. From the experimental and theoretical studies, a multilayer optical model has been proposed for the TiN/TiNO epitaxial thin films for obtaining individual complex dielectric functions from which many other optical parameters can be calculated. The advantages of oxide derivatives of TiN are the continuation of similar free electron density as in TiN and the acquisition of additional features such as oxygen-dependent semiconductivity with a tunable bandgap.