Elastic and thermodynamic properties of cubic perovskite type $$\hbox {NdXO}_{3}$$ NdXO 3 (X=Ga, In)

Selgin Al ()
Additional contact information
Selgin Al: Izmir Democracy University

The European Physical Journal B: Condensed Matter and Complex Systems, 2021, vol. 94, issue 5, 1-9

Abstract: Abstract The elastic and thermodynamic properties of $$\hbox {NdGaO}_{3}$$ NdGaO 3 and $$\hbox {NdInO}_{3}$$ NdInO 3 with the space group Pm $$\bar{3}$$ 3 ¯ m (no. 221) are studied for the first-time using density functional theory. The computed equilibrium lattice constants at stable phase are found to be 3.89 and 4.14 Å which are in a good agreement with literature. Elastic constants are computed to evaluate mechanical behaviours of materials. By applying Born stability criteria for elastic constants, it is found that both materials are mechanically stable. Moreover, bulk and shear modulus, Poisson’ ratio, Cauchy pressures, and Young modulus are examined. Ductile and brittle behaviour analysis indicates that both materials are ductile in nature. The thermodynamic properties such as thermal expansion coefficient, Grüneisen parameter, bulk modulus, specific heat capacities, and entropy are computed at a temperature range of 0–1000 K. The calculated elastic and thermodynamic properties can serve as a reference for future investigations as some of these physical properties can be difficult to determine experimentally. Graphic abstract

Date: 2021
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://link.springer.com/10.1140/epjb/s10051-021-00120-z Abstract (text/html)
Access to the full text of the articles in this series is restricted.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:eurphb:v:94:y:2021:i:5:d:10.1140_epjb_s10051-021-00120-z

Ordering information: This journal article can be ordered from
http://www.springer.com/economics/journal/10051

DOI: 10.1140/epjb/s10051-021-00120-z

Access Statistics for this article

The European Physical Journal B: Condensed Matter and Complex Systems is currently edited by P. Hänggi and Angel Rubio

More articles in The European Physical Journal B: Condensed Matter and Complex Systems from Springer, EDP Sciences
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().