Solid-solid interface and solid solution of oxides with rock-salt structure: Lattice properties

1995 ◽  
Vol 51 (22) ◽  
pp. 15732-15741 ◽  
Author(s):  
Q. Shen ◽  
D. E. Ellis
2021 ◽  
Author(s):  
Martina Fracchia ◽  
Mauro Coduri ◽  
Maela Manzoli ◽  
Paolo Ghigna ◽  
Umberto Anselmi-Tamburini

We question the conclusions reported in the paper "Entropy-stabilized Oxides, by C. Rost et al., by looking into the role of configurational entropy as the stabilization of the rock-salt cubic structure of the Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O (HEO) solid solution (SS). First, we demonstrate that configurational entropy can be reduced from 1.61R for HEO to 0.5R for a two-member SS, still obtaining a single-phase material if the molar fractions of ZnO and CuO are 0.2. These SSs behave identically as HEO regarding the reversible transformation between a multi- and single-phase states when temperatures are cycled between 800 and 1000 °C. Second, we demonstrate that the different SSs presenting a configurational entropy significantly lower than HEO, are less prone to the cubic to tetragonal structural distortion, suggesting that the configurational entropy has not the central role as stabilizing factor of the rock-salt structure.<br>


2021 ◽  
Author(s):  
Martina Fracchia ◽  
Mauro Coduri ◽  
Maela Manzoli ◽  
Paolo Ghigna ◽  
Umberto Anselmi-Tamburini

We question the conclusions reported in the paper "Entropy-stabilized Oxides, by C. Rost et al., by looking into the role of configurational entropy as the stabilization of the rock-salt cubic structure of the Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O (HEO) solid solution (SS). First, we demonstrate that configurational entropy can be reduced from 1.61R for HEO to 0.5R for a two-member SS, still obtaining a single-phase material if the molar fractions of ZnO and CuO are 0.2. These SSs behave identically as HEO regarding the reversible transformation between a multi- and single-phase states when temperatures are cycled between 800 and 1000 °C. Second, we demonstrate that the different SSs presenting a configurational entropy significantly lower than HEO, are less prone to the cubic to tetragonal structural distortion, suggesting that the configurational entropy has not the central role as stabilizing factor of the rock-salt structure.<br>


2003 ◽  
Vol 150 (5) ◽  
pp. A638 ◽  
Author(s):  
Hikari Shigemura ◽  
Mitsuharu Tabuchi ◽  
Hikari Sakaebe ◽  
Hironori Kobayashi ◽  
Hiroyuki Kageyama

2017 ◽  
Vol 132 (2) ◽  
pp. 343-346 ◽  
Author(s):  
E. Łusakowska ◽  
S. Adamiak ◽  
P. Adamski ◽  
R. Kuna ◽  
R. Minikayev ◽  
...  

Author(s):  
Qian Zhang ◽  
William Arnold ◽  
Zachary D. Hood ◽  
Yang Li ◽  
Rachel DeWees ◽  
...  

2020 ◽  
Vol 0 (0) ◽  
Author(s):  
S. Shari ◽  
K.B. Tan ◽  
C.C. Khaw ◽  
Z. Zainal ◽  
O.J. Lee ◽  
...  

AbstractLithium tantalate solid solution, Li3+5xTa1−xO4 was prepared by conventional solid-state reaction at 925 °C for 48 h. The XRD analysis confirmed that these materials crystallized in a monoclinic symmetry, space group C2/C and Z = 8, which was similar to the reported International Crystal Database (ICDD), No. 98-006-7675. The host structure, β-Li3TaO4 had a rock-salt structure with a cationic order of Li+:Ta5+ = 3:1 over the octahedral sites. A rather narrow subsolidus solution range, i.e. Li3+5xTa1−xO4 (0 ⩽ x ⩽ 0.059) was determined and the formation mechanism was proposed as a replacement of Ta5+ by excessive Li+, i.e. Ta5+ ↔ 5Li+. Both Scherrer and Williamson-Hall (W-H) methods indicated the average crystallite sizes in the range of 31 nm to 51 nm. Two secondary phases, Li4TaO4:5 and LiTaO3 were observed at x = 0.070 and x = −0:013, respectively. These materials were moderate lithium ionic conductors with the highest conductivity of ~2.5 × 10−3 Ω 1 ˙cm−1 at x = 0, at 0 °C and 850 °C; the activation energies were found in the range of 0.63 eV to 0.68 eV.


2009 ◽  
Vol 2009 ◽  
pp. 1-4 ◽  
Author(s):  
A. Alsaad

Direct supercell approach calculations of the magnetic exchange interactions in Mn-doped ScN was carried out in the local spin density approximation by using the muffin-tin-orbital Green's function method. We found that magnetic interactions are long range interactions and affected by the randomness, band gap corrections, and carrier concentrations. Using total energy minimization approach we found that the global energy minimum of MnN is obtained for zinc-blende structure. If the compound is compressed by 6%, the energy minimum corresponds to the rock-salt structure in disagreement with the experimentally observed tetragonal distorted rock-salt structure, known as -phase. An isostructural phase transition for alloys from MnN -phase to -ScN phase was found to occur at a hydrostatic pressure of 18 GPa. We predict above room temperature for Mn concentrations of about 10% in ScN : Mn system.


2020 ◽  
Vol 117 (5) ◽  
pp. 052402
Author(s):  
Taku Yamamoto ◽  
Kenichi Kaminaga ◽  
Daichi Saito ◽  
Daichi Oka ◽  
Tomoteru Fukumura

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