Optical properties, structural parameters, and bonding of highly textured rocksalt tantalum nitride films

Journal Article · Mon Dec 15 00:00:00 EST 2008 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.3043882· OSTI ID:21180064

Matenoglou, G M; Koutsokeras, L E; Lekka, Ch E; Patsalas, P ^[1]; Abadias, G; Camelio, S ^[2]; Evangelakis, G A; Kosmidis, C ^[3]

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1. Department of Materials Science and Engineering, University of Ioannina, Ioannina 45110 (Greece)
2. Laboratoire PHYMAT, UMR 6630, SP2MI, Universite de Poitiers-CNRS, Teleport 2, Bd Marie et Pierre Curie, 86962 Chasseneuil-Futuroscope (France)
3. Department of Physics, University of Ioannina, Ioannina 45110 (Greece)

Tantalum nitride is an interesting solid with exceptional properties and it might be considered as a representative model system of the d{sup 3}s{sup 2} transition metal nitrides. In this work highly textured, stoichiometric, rocksalt TaN(111) films have been grown on Si(100) by pulsed laser deposition. The films were under a triaxial stress, which has been determined by the sin{sup 2} {psi} method. The stress-free lattice parameter was found to be 0.433{+-}0.001 nm, a value which has been also determined by ab initio calculations within the local spin density approximation. The optical properties of TaN have been studied using spectroscopic ellipsometry and detailed band structure calculations. The electron conductivity of TaN is due to the Ta 5dt{sub 2g} band that intercepts the Fermi level and is the source of intraband absorption. The plasma energies of fully dense rocksalt TaN were found to be 9.45 and 9.7 eV based on the experimental results and ab initio calculations, respectively. Additional optical absorption bands were also observed around 1.9 and 7.3 eV and attributed to be due to crystal field splitting of the Ta 5d band (t{sub 2g}{yields}e{sub g} transition) and the N p{yields}Ta d interband transition, respectively.

• OSTI ID: 21180064
• Journal Information: Journal of Applied Physics, Vol. 104, Issue 12; Other Information: DOI: 10.1063/1.3043882; (c) 2008 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ABSORPTION
APPROXIMATIONS
CRYSTAL FIELD
CRYSTAL STRUCTURE
DENSITY FUNCTIONAL METHOD
ELECTRIC CONDUCTIVITY
ELLIPSOMETRY
ENERGY BEAM DEPOSITION
ENERGY-LEVEL TRANSITIONS
FERMI LEVEL
LASER RADIATION
LATTICE PARAMETERS
OPTICAL PROPERTIES
PULSED IRRADIATION
SPIN
STOICHIOMETRY
TANTALUM NITRIDES
THIN FILMS