Sökning: id:"swepub:oai:DiVA.org:kth-238105" >
Influence of compos...
Influence of composition and oxygen-vacancy ordering on lattice parameter and elastic moduli of Ce1-xGdxO2-x/2 : A theoretical study
-
- Žguns, Pjotrs (författare)
- Uppsala universitet,KTH,Flerskalig materialmodellering,Materialteori,KTH Royal Inst Technol, Dept Mat Sci & Engn, Stockholm, Sweden
-
- Ruban, Andrei V. (författare)
- KTH,Materialvetenskap,Mat Ctr Leoben Forsch GmbH, A-8700 Leoben, Austria.,KTH Royal Inst Technol, Dept Mat Sci & Engn, Stockholm, Sweden; Mat Ctr Leoben Forsch GmbH, Leoben, Austria
-
- Skorodumova, Natalia (författare)
- Uppsala universitet,KTH,Materialvetenskap,Uppsala Univ, Dept Phys & Astron, Box 516, S-75121 Uppsala, Sweden.,Materialteori,KTH Royal Inst Technol, Dept Mat Sci & Engn, Stockholm, Sweden
-
(creator_code:org_t)
- PERGAMON-ELSEVIER SCIENCE LTD, 2019
- 2019
- Engelska.
-
Ingår i: Scripta Materialia. - : PERGAMON-ELSEVIER SCIENCE LTD. - 1359-6462 .- 1872-8456. ; 158, s. 126-130
- Relaterad länk:
-
https://urn.kb.se/re...
-
visa fler...
-
https://doi.org/10.1...
-
https://urn.kb.se/re...
-
visa färre...
Abstract
Ämnesord
Stäng
- We study the behaviour of the lattice parameter and elastic moduli of Ce1-xGdxO2-x/2 for the random (fluoritelike) and C-type ordered oxygen-vacancy configurations [Zguns et al., PCCP 20 (2018) 11805-11818]. For the fluorite phase, elastic moduli decrease linearly with Gd concentration. For the C-type phase, the bulk, shear and Young moduli are found to be systematically larger and the lattice parameter smaller than those for disordered fluorite phase. Essentially the linear behaviour of the bulk modulus and lattice parameter depending on the degree of the C-type order is found. Our findings explain the experimentally observed elastic moduli of Ce1-xGdxO2-x/2.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- Structure-property relation
- Gd-doped ceria
- Ordering
- Elastic moduli
- DFT
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas