#justpublished “TiN Electrode Work Function at the Atomistic Level”

#justpublished “TiN Electrode Work Function at the Atomistic Level”

We have just published a new paper about “Controlling the TiN Electrode Work Function at the Atomistic Level: A First Principles Investigation” by Arrigo Calzolari (INTERSECT coordinator) and Alessandra Catellani (Cnr Nano) on IEEE Access ( Volume: 8 ).

The paper reports on a theoretical description of work function of TiN, which is one of the most used materials for the realization of electrodes and gates in CMOS devices. Indeed, although the work function is a fundamental quantity in quantum mechanics and also in device physics, as it allows the understanding of band alignment at heterostructures and gap states formation at the metal/semiconductor interface, the role of defects and contaminants is rarely taken into account.

First principles investigation of the effects of surface termination, sub-stoichiometry (N-vacancies) and surface oxidation on TiN workfunction.

By using first principles simulations, the authors present an extensive study of the work function dependence on nitrogen vacancies and surface oxidation for different TiN surface orientations. The results complement and explain a number of existent experimental data, and provide a useful tool to tailoring transport properties of TiN electrodes in device simulations.

A. Calzolari and A. Catellani, “Controlling the TiN Electrode Work Function at the Atomistic Level: A First Principles Investigation,” in IEEE Access, vol. 8, pp. 156308-156313, 2020, doi: 10.1109/ACCESS.2020.3017726. Read at https://ieeexplore.ieee.org/document/9171237


Published in: IEEE Access ( Volume: 8 )
Page(s): 156308 – 156313
Date of Publication: 19 August 2020 
Electronic ISSN: 2169-3536
DOI: 10.1109/ACCESS.2020.3017726
Publisher: IEEE 
Funding Agency: 10.13039/501100000780-European Commission (EC) through the H2020-NMBP-TO-IND Project