Characteristics of perovskite-related materials

1989 ◽  
Vol 328 (1599) ◽  
pp. 409-416 ◽  
Keyword(s):  
Phase Transitions ◽  
Perovskite Structure ◽  
Structural Phase ◽  
Structural Instability ◽  
Structural Phase Transitions ◽  
Kinetic Behaviour ◽  
Characteristic Features ◽  
Polaronic Transport ◽  
Structural Instabilities ◽  
Defect Densities

Oxides with perovskite structure show characteristic features of their physical behaviour that can be relevant for the understanding of the mantle m aterial (MgFe)SiO 3 . Perovskites distort locally, and four different mechanisms have been found: tilt of octahedral complexes, off-centring of the octahedrally coordinated cation, distortion of the octahedral cage and off-centring of the 12-fold coordinated site. These deformations usually lead to structural instabilities related to phase transitions, extremely sluggish kinetic behaviour even leading to pseudo-glasses and polaronic transport. All these properties depend sensitively on the oxygen fugacities, defect densities and the rheology of the system. There is some evidence that the predicted structural phase transitions and glass states occur in CaSiO 3 whereas no structural instability has yet been reported in MgSiO 3 .

Phonons and magnons under the sequential structural phase transitions in La2NiO4

1991 ◽  
Vol 185-189 ◽  
pp. 895-896 ◽  
Author(s):  
S. Sugai ◽  
S. Hosoya ◽  
T. Kajitani ◽  
T. Fukuda ◽  
S. Onodera
Keyword(s):  
Phase Transitions ◽  
Structural Phase ◽  
Structural Phase Transitions

Structural phase transitions of LaScO3 from first principles

2021 ◽  
Vol 26 ◽  
pp. 102048
Author(s):  
Craig A.J. Fisher ◽  
Ayako Taguchi ◽  
Takafumi Ogawa ◽  
Akihide Kuwabara
Keyword(s):  
Phase Transitions ◽  
First Principles ◽  
Structural Phase ◽  
Structural Phase Transitions

scholarly journals The origin of the lattice thermal conductivity enhancement at the ferroelectric phase transition in GeTe

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Đorđe Dangić ◽  
Olle Hellman ◽  
Stephen Fahy ◽  
Ivana Savić
Keyword(s):  
Phase Transition ◽  
Thermal Conductivity ◽  
Phase Transitions ◽  
Thermoelectric Materials ◽  
Ferroelectric Phase Transition ◽  
Lattice Thermal Conductivity ◽  
Ferroelectric Phase ◽  
Structural Phase ◽  
High Symmetry ◽  
Structural Phase Transitions

AbstractThe proximity to structural phase transitions in IV-VI thermoelectric materials is one of the main reasons for their large phonon anharmonicity and intrinsically low lattice thermal conductivity κ. However, the κ of GeTe increases at the ferroelectric phase transition near 700 K. Using first-principles calculations with the temperature dependent effective potential method, we show that this rise in κ is the consequence of negative thermal expansion in the rhombohedral phase and increase in the phonon lifetimes in the high-symmetry phase. Strong anharmonicity near the phase transition induces non-Lorentzian shapes of the phonon power spectra. To account for these effects, we implement a method of calculating κ based on the Green-Kubo approach and find that the Boltzmann transport equation underestimates κ near the phase transition. Our findings elucidate the influence of structural phase transitions on κ and provide guidance for design of better thermoelectric materials.

Temperature-induced structural phase transitions in RERhSn (RE = Y, Gd-Tm, Lu)

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Simon Engelbert ◽  
Rolf-Dieter Hoffmann ◽  
Jutta Kösters ◽  
Steffen Klenner ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Phase Transitions ◽  
Driving Force ◽  
Room Temperature ◽  
Structural Phase ◽  
Structural Phase Transitions ◽  
Line Broadening ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
X Ray

Abstract The structures of the equiatomic stannides RERhSn with the smaller rare earth elements Y, Gd-Tm and Lu were reinvestigated on the basis of temperature-dependent single crystal X-ray diffraction data. GdRhSn crystallizes with the aristotype ZrNiAl at 293 and 90 K. For RE = Y, Tb, Ho and Er the HP-CeRuSn type (approximant with space group R3m) is already formed at room temperature, while DyRhSn adopts the HP-CeRuSn type below 280 K. TmRhSn and LuRhSn show incommensurate modulated variants with superspace groups P31m(1/3; 1/3; γ) 000 (No. 157.1.23.1) (γ = 3/8 for TmRhSn and γ = 2/5 for LuRhSn). The driving force for superstructure formation (modulation) is a strengthening of Rh–Sn bonding. The modulation is expressed in a 119Sn Mössbauer spectrum of DyRhSn at 78 K through line broadening.

Magnetic and structural phase transitions by annealing in tetragonal and cubic Mn3Ga thin films

2021 ◽  
pp. 159346
Author(s):  
Hyun-Woo Bang ◽  
Woosuk Yoo ◽  
Kyujoon Lee ◽  
Young Haeng Lee ◽  
Myung-Hwa Jung
Keyword(s):  
Thin Films ◽  
Phase Transitions ◽  
Structural Phase ◽  
Structural Phase Transitions
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