Structure and electronic properties of conducting, ternary Ti xTa1-xN films

Grigorios Matenoglou, Ch E. Lekka, L. E. Koutsokeras, G. Karras, C. Kosmidis, G. A. Evangelakis, P. Patsalas

Research output: Contribution to journalArticle

39 Citations (Scopus)

Abstract

We report on the electronic structure and optical properties of conducting ternary transition metal nitrides consisting of metals of different groups of the periodic table of elements. For the study of the bonding, electronic structure, and optical properties of conducting TixTa1-x N film growth, optical spectroscopy and ab initio calculations were used. Despite the different valence electron configuration of the constituent elements, Ta (3d 2s) and Ti (2d 2s), we show that TiN and TaN are completely soluble due to the hybridization of the d and sp electrons of the metals and N, respectively, that stabilizes the ternary Ti xTa1-x N systems to the rocksalt structure. The optical properties of TixTa1-x N have been studied using spectroscopic methods and detailed electronic structure calculations, revealing that the plasma energy of the fully dense TixTa1-xN is varying between 7.8 and 9.45 eV. Additional optical absorption bands are manifested due to the N p→Ti/Ta d interband transition the t2g → eg transition due to splitting of the metals' d band, with the major exception of the Ti0.50 Ta0.50 N, where the eg unoccupied states are not manifested due to the local structure of the ternary system; this finding is observed for the first time and proves previous assignments of optical transitions in TaN.

Original languageEnglish
Article number103714
JournalJournal of Applied Physics
Volume105
Issue number10
DOIs
Publication statusPublished - 2009
Externally publishedYes

Fingerprint

electronic structure
optical properties
conduction
electronics
metals
metal nitrides
ternary systems
optical transition
optical absorption
electrons
transition metals
valence
absorption spectra
configurations
spectroscopy
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Matenoglou, G., Lekka, C. E., Koutsokeras, L. E., Karras, G., Kosmidis, C., Evangelakis, G. A., & Patsalas, P. (2009). Structure and electronic properties of conducting, ternary Ti xTa1-xN films. Journal of Applied Physics, 105(10), [103714]. https://doi.org/10.1063/1.3131824

Structure and electronic properties of conducting, ternary Ti xTa1-xN films. / Matenoglou, Grigorios; Lekka, Ch E.; Koutsokeras, L. E.; Karras, G.; Kosmidis, C.; Evangelakis, G. A.; Patsalas, P.

In: Journal of Applied Physics, Vol. 105, No. 10, 103714, 2009.

Research output: Contribution to journalArticle

Matenoglou, G, Lekka, CE, Koutsokeras, LE, Karras, G, Kosmidis, C, Evangelakis, GA & Patsalas, P 2009, 'Structure and electronic properties of conducting, ternary Ti xTa1-xN films', Journal of Applied Physics, vol. 105, no. 10, 103714. https://doi.org/10.1063/1.3131824
Matenoglou G, Lekka CE, Koutsokeras LE, Karras G, Kosmidis C, Evangelakis GA et al. Structure and electronic properties of conducting, ternary Ti xTa1-xN films. Journal of Applied Physics. 2009;105(10). 103714. https://doi.org/10.1063/1.3131824
Matenoglou, Grigorios ; Lekka, Ch E. ; Koutsokeras, L. E. ; Karras, G. ; Kosmidis, C. ; Evangelakis, G. A. ; Patsalas, P. / Structure and electronic properties of conducting, ternary Ti xTa1-xN films. In: Journal of Applied Physics. 2009 ; Vol. 105, No. 10.
@article{282c8feb315443ee9955351f9bd708e3,
title = "Structure and electronic properties of conducting, ternary Ti xTa1-xN films",
abstract = "We report on the electronic structure and optical properties of conducting ternary transition metal nitrides consisting of metals of different groups of the periodic table of elements. For the study of the bonding, electronic structure, and optical properties of conducting TixTa1-x N film growth, optical spectroscopy and ab initio calculations were used. Despite the different valence electron configuration of the constituent elements, Ta (3d 2s) and Ti (2d 2s), we show that TiN and TaN are completely soluble due to the hybridization of the d and sp electrons of the metals and N, respectively, that stabilizes the ternary Ti xTa1-x N systems to the rocksalt structure. The optical properties of TixTa1-x N have been studied using spectroscopic methods and detailed electronic structure calculations, revealing that the plasma energy of the fully dense TixTa1-xN is varying between 7.8 and 9.45 eV. Additional optical absorption bands are manifested due to the N p→Ti/Ta d interband transition the t2g → eg transition due to splitting of the metals' d band, with the major exception of the Ti0.50 Ta0.50 N, where the eg unoccupied states are not manifested due to the local structure of the ternary system; this finding is observed for the first time and proves previous assignments of optical transitions in TaN.",
author = "Grigorios Matenoglou and Lekka, {Ch E.} and Koutsokeras, {L. E.} and G. Karras and C. Kosmidis and Evangelakis, {G. A.} and P. Patsalas",
year = "2009",
doi = "10.1063/1.3131824",
language = "English",
volume = "105",
journal = "Journal of Applied Physics",
issn = "0021-8979",
publisher = "American Institute of Physics Publising LLC",
number = "10",

}

TY - JOUR

T1 - Structure and electronic properties of conducting, ternary Ti xTa1-xN films

AU - Matenoglou, Grigorios

AU - Lekka, Ch E.

AU - Koutsokeras, L. E.

AU - Karras, G.

AU - Kosmidis, C.

AU - Evangelakis, G. A.

AU - Patsalas, P.

PY - 2009

Y1 - 2009

N2 - We report on the electronic structure and optical properties of conducting ternary transition metal nitrides consisting of metals of different groups of the periodic table of elements. For the study of the bonding, electronic structure, and optical properties of conducting TixTa1-x N film growth, optical spectroscopy and ab initio calculations were used. Despite the different valence electron configuration of the constituent elements, Ta (3d 2s) and Ti (2d 2s), we show that TiN and TaN are completely soluble due to the hybridization of the d and sp electrons of the metals and N, respectively, that stabilizes the ternary Ti xTa1-x N systems to the rocksalt structure. The optical properties of TixTa1-x N have been studied using spectroscopic methods and detailed electronic structure calculations, revealing that the plasma energy of the fully dense TixTa1-xN is varying between 7.8 and 9.45 eV. Additional optical absorption bands are manifested due to the N p→Ti/Ta d interband transition the t2g → eg transition due to splitting of the metals' d band, with the major exception of the Ti0.50 Ta0.50 N, where the eg unoccupied states are not manifested due to the local structure of the ternary system; this finding is observed for the first time and proves previous assignments of optical transitions in TaN.

AB - We report on the electronic structure and optical properties of conducting ternary transition metal nitrides consisting of metals of different groups of the periodic table of elements. For the study of the bonding, electronic structure, and optical properties of conducting TixTa1-x N film growth, optical spectroscopy and ab initio calculations were used. Despite the different valence electron configuration of the constituent elements, Ta (3d 2s) and Ti (2d 2s), we show that TiN and TaN are completely soluble due to the hybridization of the d and sp electrons of the metals and N, respectively, that stabilizes the ternary Ti xTa1-x N systems to the rocksalt structure. The optical properties of TixTa1-x N have been studied using spectroscopic methods and detailed electronic structure calculations, revealing that the plasma energy of the fully dense TixTa1-xN is varying between 7.8 and 9.45 eV. Additional optical absorption bands are manifested due to the N p→Ti/Ta d interband transition the t2g → eg transition due to splitting of the metals' d band, with the major exception of the Ti0.50 Ta0.50 N, where the eg unoccupied states are not manifested due to the local structure of the ternary system; this finding is observed for the first time and proves previous assignments of optical transitions in TaN.

UR - http://www.scopus.com/inward/record.url?scp=66549095704&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=66549095704&partnerID=8YFLogxK

U2 - 10.1063/1.3131824

DO - 10.1063/1.3131824

M3 - Article

VL - 105

JO - Journal of Applied Physics

JF - Journal of Applied Physics

SN - 0021-8979

IS - 10

M1 - 103714

ER -