Electronic Structure and Optical Absorption in Gd‐Implanted Silica Glasses. Issue 3 (15th October 2018)

• Record Type: Journal Article
• Authors: Zatsepin, Anatoly; Kuznetsova, Yulia; Zatsepin, Dmitry; Boukhvalov, Danil; Gavrilov, Nikolay; Koubisy, Mohamed
• Other Names: Mescia Luciano guestEditor.; Cannas Marco guestEditor.; Agnello Simonpietro guestEditor.; Gelardi Franco Mario guestEditor.
• Is Part Of: Physica status solidi. Volume 216:Issue 3(2019)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2018-10-15
• Subjects: gadolinium -- ion implantation -- optical absorption -- quasi‐dynamic disorder -- silica; Solid state physics -- Periodicals; Solids -- Industrial applications -- Periodicals; 530.41
• DOI: 10.1002/pssa.201800522
• Languages: English
• ISSNs: 1862-6300

Abstract

Abstract : The electronic structure and optical properties of silica glass implanted with Gd‐ions by the pulsed implantation technique are studied. Experimental XPS data combined with the theoretical density functional theory (DFT)‐modeling establish the most probable scenarios for Gd‐embedding at the interstitial and substitutional positions in silica before and after thermal annealing. The optical absorption spectra are analyzed within two spectral regions of direct interband transitions and exponential Urbach tails. The influence of both radiation and thermal treatment on the overall structural disorder of host‐matrix is determined using fundamental optical parameters (band gap, phonon energy). The local atomic displacements caused by the implantation damage and thermal recovery of host‐structure for as‐implanted and annealed samples are quantitatively estimated. Abstract : In this work, two main tasks are considered: 1) What is the structural state of gadolinium ions implanted in silica glass and 2) how does the atomic and energy structure of the matrix change under the influence of ion irradiation and thermal annealing? For this solution, a comprehensive approach is applied, including experimental (XPS, optical absorption) and theoretical (DFT) modeling.