Experimental and theoretical study of lattice relaxation around refractory atoms in nickel
2008
Autori
Koteski, Vasil J.Mahnke, Heinz-Eberhard
Belošević-Čavor, Jelena
Cekić, Božidar Đ.
Schumacher, G.
Članak u časopisu
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
The lattice relaxation around Mo, Ru, Hf, Ta, W and Re in Ni is investigated by means of X-ray absorption spectroscopy. For all of the investigated concentrations the substitutional lattice position is confirmed except for the higher Hf concentration where different phases are observed. Ail outward relaxation of the neighboring atoms is detected with clear trends of increasing nearest neighbor distances with decreasing valence for the 5d impurities, and separate trends for the 4d impurities. Ab initio supercell calculations within the linearized augmented plane wave formalism are used to complement the experimental results and allow for a better interpretation of the experimental trends in terms of the electronic structure of the impurity. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Ključne reči:
Extended X-ray absorption fine structure (EXAFS, XANES) / Nickel alloys / Augmented plane wave method (FLAPW)Izvor:
Acta Materialia, 2008, 56, 17, 4601-4607Finansiranje / projekti:
- Strukturne, dinamičke i spektroskopske karakteristike intermetalika i poluprovodnika (RS-MESTD-MPN2006-2010-141022)
DOI: 10.1016/j.actamat.2008.05.015
ISSN: 1359-6454
WoS: 000260372100007
Scopus: 2-s2.0-51649124207
Kolekcije
Institucija/grupa
VinčaTY - JOUR AU - Koteski, Vasil J. AU - Mahnke, Heinz-Eberhard AU - Belošević-Čavor, Jelena AU - Cekić, Božidar Đ. AU - Schumacher, G. PY - 2008 UR - https://vinar.vin.bg.ac.rs/handle/123456789/3551 AB - The lattice relaxation around Mo, Ru, Hf, Ta, W and Re in Ni is investigated by means of X-ray absorption spectroscopy. For all of the investigated concentrations the substitutional lattice position is confirmed except for the higher Hf concentration where different phases are observed. Ail outward relaxation of the neighboring atoms is detected with clear trends of increasing nearest neighbor distances with decreasing valence for the 5d impurities, and separate trends for the 4d impurities. Ab initio supercell calculations within the linearized augmented plane wave formalism are used to complement the experimental results and allow for a better interpretation of the experimental trends in terms of the electronic structure of the impurity. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. T2 - Acta Materialia T1 - Experimental and theoretical study of lattice relaxation around refractory atoms in nickel VL - 56 IS - 17 SP - 4601 EP - 4607 DO - 10.1016/j.actamat.2008.05.015 ER -
@article{ author = "Koteski, Vasil J. and Mahnke, Heinz-Eberhard and Belošević-Čavor, Jelena and Cekić, Božidar Đ. and Schumacher, G.", year = "2008", abstract = "The lattice relaxation around Mo, Ru, Hf, Ta, W and Re in Ni is investigated by means of X-ray absorption spectroscopy. For all of the investigated concentrations the substitutional lattice position is confirmed except for the higher Hf concentration where different phases are observed. Ail outward relaxation of the neighboring atoms is detected with clear trends of increasing nearest neighbor distances with decreasing valence for the 5d impurities, and separate trends for the 4d impurities. Ab initio supercell calculations within the linearized augmented plane wave formalism are used to complement the experimental results and allow for a better interpretation of the experimental trends in terms of the electronic structure of the impurity. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.", journal = "Acta Materialia", title = "Experimental and theoretical study of lattice relaxation around refractory atoms in nickel", volume = "56", number = "17", pages = "4601-4607", doi = "10.1016/j.actamat.2008.05.015" }
Koteski, V. J., Mahnke, H., Belošević-Čavor, J., Cekić, B. Đ.,& Schumacher, G.. (2008). Experimental and theoretical study of lattice relaxation around refractory atoms in nickel. in Acta Materialia, 56(17), 4601-4607. https://doi.org/10.1016/j.actamat.2008.05.015
Koteski VJ, Mahnke H, Belošević-Čavor J, Cekić BĐ, Schumacher G. Experimental and theoretical study of lattice relaxation around refractory atoms in nickel. in Acta Materialia. 2008;56(17):4601-4607. doi:10.1016/j.actamat.2008.05.015 .
Koteski, Vasil J., Mahnke, Heinz-Eberhard, Belošević-Čavor, Jelena, Cekić, Božidar Đ., Schumacher, G., "Experimental and theoretical study of lattice relaxation around refractory atoms in nickel" in Acta Materialia, 56, no. 17 (2008):4601-4607, https://doi.org/10.1016/j.actamat.2008.05.015 . .