Alessandra Catellani

Short Bio

2012 - CNR Senior researcher in NANO-S3, Modena, IT
2010 - 2012 CNR senior researcher in IMEM, Parma, IT
1988 - 2010 CNR researcher MASPEC Institute (now IMEM), in Parma, IT
1986 - 1988 CNR researcher at Istituto Corbino, Roma, IT
Visiting scientist at Lawrence Livermore National Laboratory, CA-USA (1998, 2001, 2004); and at IRRMA-EPFL, CH (1995, 1996, 1997)
ResearcherID: X-1632-2018
Scopus Author ID: 7004104086

Research Interests

The research activity is focused on the ab initio simulation - within the Density Functional Theory (DFT) framework and beyond - of compound semiconductor surfaces and interfaces, and low dimensional solid-state and hybrid systems by means of ab initio simulations, including first-principles molecular dynamics at finite temperature. The research activity deals with the application of state-of-the-art packages for (TD)DFT calculations of the electronic and structural properties of physical systems for solar cells, sensors, plasmonics and nanoelectronic applications.

Selected Publications

Hyperbolic Metamaterials with Extreme Mechanical Hardness”, A. Calzolari , A. Catellani, M. Buongiorno Nardelli, and M. Fornari, Adv Opt Mat (0), 2001904 (2021)

”Tailoring the plasmonic properties of metals: The case of substoichiometric titanium nitride”, A. Catellani, P. D'Amico, and A. Calzolari, Phys Rev Materials (4), 015201 (2020)

“Hierarchical Short- and Medium-Range Order Structures in Amorphous Ge xSe1- xfor Selectors Applications”, F. Tavanti, B. Dianat, A. Catellani, and A. Calzolari, ACS Applied Electronic Materials (2), 2961-2969 (2020)

"Controlling the plasmonic properties of ultrathin TiN films at the atomic level", D. Shah, A. Catellani, H. Reddy, N. Kinsey, V. Shalaev, A. Boltasseva, and A. Calzolari, ACS Photonics 5, 2816 (2018).

"VO2 as a natural optical metamaterial", M. Eaton, A. Catellani, and A. Calzolari, Opt. Express 26, 5342 (2018).

"Plasmonic properties of refractory titanium nitride", A. Catellani and A. Calzolari, Phys. Rev. B 95, 115145 (2017).

“Shear piezoelectricity in poly(vinylidenefluoride-co-trifluoroethylene): full piezotensor coefficients by molecular modeling, biaxial transverse response, and use in suspended energy-harvesting nanostructure”, L. Persano, A. Catellani, C. Dagdeviren, Y. Ma, X. Guo, Y. Huang, A. Calzolari, and D. Pisignano,  Adv. Mater. 28, 7633 (2016).

”Origin of the accumulation layer at the InN/a-In2O3 interface",A. Aliano, G. Cicero and A. Catellani, ACS Applied Materials & Interfaces 7, 5415 (2015).

”Optoelectronic properties and color chemistry of native point defects in Al:ZnO transparent conductive oxide”, A. Catellani, A. Ruini, and A. Calzolari, J Mater Chem C 3, 8419-8424 (2015).

”Unconventional co-existence of plasmon and thermoelectric activity in In:ZnO nanowires”, A. Catellani, A. Ruini, M. Buongiorno Nardelli,nd A. Calzolari, RSC Advances 5, 44865-44872 (2015).

A. Calzolari, A. Ruini, and A. Catellani, ACS Photonics 1, 703 (2014).