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The low thermal conductivity of piezoelectric perovskites is a challenge for high power transducer applications. We report first principles calculations of the thermal conductivity of ferroelectric PbTiO$_3$ and the cubic nearly…

材料科学 · 物理学 2018-09-27 Yuhao Fu , David J. Singh

A previously unreported Pb-based perovskite PbMoO$_3$ is obtained by high-pressure and high-temperature synthesis. This material crystallizes in the $Pm\bar{3}m$ cubic structure at room temperature, making it distinct from typical Pb-based…

We report the superconducting properties of single crystals of the intermetallic perovskite-related compound BaBi$_{3}$. The superconducting transition temperature ($T_{c}=5.82$~K) was obtained from heat capacity measurements. Using the…

超导电性 · 物理学 2015-06-19 Neel Haldolaarachchige , S. K. Kushwaha , Quinn Gibson , R. J. Cava

Low temperature properties of BaZrO3 are revealed by combining experimental techniques (X-ray diffraction, neutron scattering and dielectric measurements) with theoretical first-principles-based methods (total energy and linear response…

材料科学 · 物理学 2009-11-11 A. R. Akbarzadeh , I. Kornev , C. Malibert , L. Bellaiche , J. M. Kiat

We report on the temperature dependence of thermal conductivity of single crystalline and polycrystalline organometallic perovskite CH3NH3PbI3. The comparable absolute values and temperature dependence of the two sample's morphologies…

Ba2CaMoO6 was synthesized by solid state method. The crystal structure adopts cubic Fm-3m space group at room temperature with lattice parameters of 8.378231(5) {angstroms}. Upon cooling, Ba2CaMoO6 was determined to have a structural phase…

材料科学 · 物理学 2020-11-03 Loi T. Nguyen , Robert J. Cava , Allyson M. Fry-Petit

The doped perovskite BaBiO$_3$ exhibits a maximum superconducting transition temperature ($T_c$) of 34 K and was the first high-$T_c$ oxide to be discovered, yet pivotal questions regarding the nature of both the metallic and…

超导电性 · 物理学 2023-03-01 S. Griffitt , M. Spaić , J. Joe , Z. Anderson , D. Zhai , M. J. Krogstad , R. Osborn , D. Pelc , M. Greven

Crystals and glasses differ by the amplitude and the temperature dependence of their thermal conductivity. However, there are crystals known to display glass-like thermal conductivity. Here, we show that EuTiO$_3$, a quantum paraelectric…

Perovskite-based optoelectronic devices have shown great promise for solar conversion and other optoelectronic applications, but their long-term performance instability is regarded as a major obstacle to their widespread deployment.…

The thermal conductivities of beta-Ga2O3 single crystals along four different crystal directions were measured in the temperature range of 80-495K using the time domain thermoreflectance (TDTR) method. A large anisotropy was found. At room…

BaTiO3 (BTO) is one of the most interesting classes of perovskite materials. The present study has been complied to explore some physical properties such as mechanical, vibrational, thermo-physical, and temperature dependent thermodynamic…

材料科学 · 物理学 2025-12-11 Arpon Chakraborty , M. N. H. Liton , M. S. I. Sarker , M. M. Rahman , M. K. R. Khan

Neutron diffraction studies have been carried out on a single crystal of oxygen-deficient perovskite TbBaCo2O5.5 in the temperature range of 7-370 K. There have been observed several magnetic or structural transitions. Among these, the…

强关联电子 · 物理学 2009-11-10 Minoru Soda , Yukio Yasui , Toshiaki Fujita , Takeshi Miyashita , Masatoshi Sato , Kazuhisa Kakurai

Thermal conductivity ($\kappa$) of mantle minerals is a fundamental property in geodynamic modeling. It controls the style of mantle convection and the time scale of the mantle and core cooling. Cubic CaSiO$_3$ perovskite (CaPv) is the…

The dependence of the electrical conductivity on the oxygen partial pressure is calculated for the prototypical perovskite $\Ba\Ti\O_3$ based on data obtained from first-principles calculations within density functional theory. The…

材料科学 · 物理学 2012-01-19 Paul Erhart , Karsten Albe

Great success has been achieved in improving the photovoltaic energy conversion efficiency of the organic-inorganic perovskite-based solar cells, but with very limited knowledge on the thermal transport in hybrid perovskites, which would…

材料科学 · 物理学 2016-03-02 Xin Qian , Xiaokun Gu , Ronggui Yang

Simple perovskite crystals undergo structural phase transitions on cooling to low temperatures, which significantly change the material properties of the crystal. In this work we rigorously characterize the temperature evolution of…

材料科学 · 物理学 2025-06-18 Zijun C. Zhao , Maxim Goryachev , Jerzy Krupka , Michael E. Tobar

The (001) surfaces of polar perovskites BaTiO$_3$ and PbTiO$_3$ have been studied from first principles at T=0 K. For both cases of polarization, the most stable TiO-terminated interfaces show intrinsic ferroelectricity. In the topmost…

材料科学 · 物理学 2008-03-12 M. Fechner , S. Ostanin , I. Mertig

We report a study on the thermal conductivity of CuFe$_{1-x}$Ga$_x$O$_2$ ($x =$ 0--0.12) single crystals at temperatures down to 0.3 K and in magnetic fields up to 14 T. CuFeO$_2$ is a well-known geometrically frustrated triangular lattice…

强关联电子 · 物理学 2017-06-19 J. D. Song , X. M. Wang , Z. Y. Zhao , J. C. Wu , J. Y. Zhao , X. G. Liu , X. Zhao , X. F. Sun

Many materials exhibit various types of phase transitions at different temperatures, with many also demonstrating polymorphism. Doping materials can significantly alter their conductivity. In light of this, we have investigated the…

材料科学 · 物理学 2024-08-29 Mohammad Abu Thaher Chowdhury , Shumsun Naher Begum

For decades it has been a well-known fact that among the few ferroelectric compounds in the perovskite family namely BaTiO3, KNbO3, PbTiO3 Na1/2Bi1/2TiO3 the dielectric and piezoelectric properties of BaTiO3 is considerably higher than the…

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