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We investigate the structural, electronic and optical properties of mixed bromide-iodide lead perovskite solar cell CH$_3$NH$_3$Pb(I$_{1-x}$Br$_x$)$_3$ by means of the virtual crystal approximation (VCA) within density functional theory…

Materials Science · Physics 2017-09-22 Un-Gi Jong , Chol-Jun Yu , Nam-Hyok Kim , Guk-Chol Ri

A new experimental set-up controlled by computer has been made to measure the pyroelectric charge of ferroelectric materials with a relatively high conductivity at slow rates of temperature variation. It allowed us to obtain the…

Materials Science · Physics 2007-05-23 B. Noheda , N. Duan , N. Cereceda , J. A. Gonzalo

We report ferrielectricity in a single-phase crystal, TSCC -- tris-sarcosine calcium chloride [(CH3NHCH2COOH)3CaCl2]. Ferrielectricity is well known in smectic liquid crystals but almost unknown in true crystalline solids. Pulvari reported…

X-ray diffraction studies on a Pb(Zn$_{1/3}$Nb$_{2/3}$)O$_3$ (PZN) single crystal sample show the presence of two different structures. An outer-layer exists in the outer most $\sim$ 10 to 50~$\mu$m of the crystal, and undergoes a…

Materials Science · Physics 2009-11-10 Guangyong Xu , Z. Zhong , Y. Bing , Z. -G. Ye , C. Stock , G. Shirane

Perovskite oxides are known to exhibit many magnetic, electronic and structural phases as function of doping and temperature. These materials are theoretically frequently investigated by the DFT+U method, typically in their ground state…

Materials Science · Physics 2023-12-12 Thies Jansen , Geert Brocks , Menno Bokdam

Structures and properties of many inorganic compounds have been collected historically. However, it only covers a very small portion of possible inorganic crystals, which implies the presence of numerous currently unknown compounds. A…

Materials Science · Physics 2018-04-18 Atsuto Seko , Hiroyuki Hayashi , Isao Tanaka

A stochastical description is applied in order to understand how ferroelectric structures can be formed. The predictions are compared with experimental data of the so-called electrical fixing: Domains are patterned in photorefractive…

Optics · Physics 2009-11-13 Felix Kalkum , Helge A. Eggert , Tobias Jungk , Karsten Buse

The results of a single-crystal X-ray-diffraction study of the evolution of crystal structures of VI3 with temperature with emphasis on phase transitions are presented. Some related specific-heat and magnetization data are included. The…

General microscopic mechanism of ferroelectric ordering in chiral smectic C* liquid crystals is considered. It is shown that if the mesogenic molecules have a sufficiently low symmetry, the spontaneous polarization is proportional to one of…

Soft Condensed Matter · Physics 2009-11-13 M. A. Osipov , M. V. Gorkunov

Experimental realizations of a variety of atomic binary Bose-Fermi mixtures have brought opportunities for studying composite quantum systems with different spin-statistics. The binary atomic mixtures can exhibit a structural transition…

Quantum Gases · Physics 2018-03-30 Tom Kim , Chih-Chun Chien

We report systematic investigation of high pressure crystal structures and structural phase transition upto 46 GPa in CaFeAsF and 40 GPa in SrFeAsF at 40 K using powder synchrotron x-ray diffraction experiments and Rietveld analysis of the…

We studied the isotropic Compton profile of the prototypical oxide VO$_2$ across the temperature induced electronic and structural phase transition at T$_C$ $\approx$ 340 K. We show that the phase transition leaves an observable signal,…

Strongly Correlated Electrons · Physics 2018-10-17 Kari O. Ruotsalainen , Juho Inkinen , Tuomas Pylkkänen , Thomas Buslaps , Mikko Hakala , Keijo Hämäläinen , Simo Huotari

We present here the results of frequency dependent dielectric, polarization and powder X-ray powder diffraction studies in the 300 to 100K temperature range for Ba_0.55Sr_0.45TiO_3. The dielectric results indicate a succession of three…

Materials Science · Physics 2007-09-24 Satyendra Singh , Satendra Pal Singh , Dhananjai Pandey

We have carried out the powder x-ray diffraction and dielectric studies on multiferroic particulate composite xNi0.9Zn0.1Fe2O4/(1-x)PbZr0.52Ti0.48O3 with x=0.15, 0.30, 0.45, 0.60, 0.75 and 0.90 to explore the structural and ferroelectric…

Materials Science · Physics 2014-02-20 Rishikesh Pandey , Braj Raj Meena , Akhilesh Kumar Singh

The subtle interplay of randomness and quantum fluctuations at low temperatures gives rise to a plethora of unconventional phenomena in systems ranging from quantum magnets and correlated electron materials to ultracold atomic gases.…

Disordered Systems and Neural Networks · Physics 2014-01-15 L. Demko , S. Bordacs , T. Vojta , D. Nozadze , F. Hrahsheh , C. Svoboda , B. Dora , H. Yamada , M. Kawasaki , Y. Tokura , I. Kezsmarki

We present results from ab initio calculations of the mechanical properties of the rhombohedral phase (beta) of vanadium metal reported in recent experiments, and other predicted high-pressure phases (gamma and bcc), focusing on properties…

Materials Science · Physics 2009-11-13 B. Lee , R. E. Rudd , J. E. Klepeis , R. Becker

A self-consistent stochastic model of domain structure formation in a uniaxial ferroelectric, quenched from a high-temperature paraelectric phase to a low-temperature ferroelectric phase, is developed with an account of the applied electric…

Materials Science · Physics 2023-04-26 Olga Y. Mazur , Leonid I. Stefanovich , Yuri A. Genenko

Structural response of crystals to an applied external perturbation is important as a key for understanding microscopic origin of physical properties. Experimental investigation of structural response is a great challenge for modern…

Materials Science · Physics 2016-05-24 Semen Gorfman , Oleg Schmidt , Vladimir Tsirelson , Michael Ziolkowski , Ullrich Pietsch

We report the finding of unusual scale-dependent symmetry below the ferroelectric Curie temperature in the perovskite Pb(Zr1-xTix)O3 single crystals of morphotropic phase boundary compositions. The crystals of tetragonal symmetry (from…

Materials Science · Physics 2011-08-23 Alexei A. Bokov , Xifa Long , Zuo-Guang Ye

A variety of compounds, for example doped paraelectrics and polar metals, exhibit both ferroelectricity and correlated electronic phenomena such as low-density superconductivity and anomalous transport. Characterizing such properties is…

Strongly Correlated Electrons · Physics 2023-07-19 Avraham Klein , Vladyslav Kozii , Jonathan Ruhman , Rafael M. Fernandes