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The halide perovskite CsPbBr$_3$ belongs to the Cs-Pb-Br material system, which features two additional thermodynamically stable ternary phases, Cs$_4$PbBr$_6$ and CsPb$_2$Br$_5$. The coexistence of these phases and their reportedly similar…

By angle-resolved photoemission spectroscopy and polarization-dependent infrared reflectivity measurements the electronic and vibrational properties of low-dimensional perovskites Sr$_{1-y}$La$_y$NbO$_{3.5-x}$ were studied along different…

Materials Science · Physics 2009-11-10 C. A. Kuntscher , S. Schuppler , P. Haas , B. Gorshunov , M. Dressel , M. Grioni , F. Lichtenberg

We have investigated the structural, mechanical, electronic and optical properties of Rb-based cubic perovskite RbBaX$_3$ (X = F, Cl, Br, I) under hydrostatic pressure, using first-principle density functional theory (DFT). All RbBaX$_3$…

Materials Science · Physics 2024-09-17 Pranti Saha , In Jun Park , Protik Das , Fariborz Kargar

Silver-based chalcohalide anti-perovskites (CAP), Ag$_{3}$BC (B = S, Se; C = Cl, Br, I), represent an emerging family of energy materials with intriguing optoelectronic, vibrational and ionic transport properties. However, the structural…

Layered ruthenates are prototype materials with strong structure-property correlations. We report the structural and physical properties of double-layered perovskite Sr3(Ru1-xMnx)2O7 single crystals with 0<=x<=0.7. Single crystal x-ray…

Strongly Correlated Electrons · Physics 2012-05-01 Biao Hu , Gregory T. McCandless , V. O. Garlea , S. Stadler , Yimin Xiong , Julia Y. Chan , E. W. Plummer , R. Jin

We find significant differences between degradation and healing at the surface or in the bulk for each of the different APbBr3 single crystals (A=CH3NH3+, methylammonium (MA); HC(NH2)2+, formamidinium (FA); and cesium, Cs+). Using 1- and…

Lead halide perovskites have emerged as promising materials for optoelectronic applications due to their exceptional properties. In the all-inorganic CsPbBr3 perovskites, ferroelastic domains formed during phase transitions enhance bulk…

The high pressure structural properties of bismuth oxide Bi2SiO5 have been investigated up to 28 GPa using in situ powder synchrotron X-ray diffraction and up to 50 GPa with DFT calculations. The monoclinic structure is found to persist up…

Halide perovskites are currently under intense investigation due to their potential applications in optoelectronics and solar cells. Among them several crystallize in low symmetry lattice structures like trigonal, hexagonal, orthorhombic…

Materials Science · Physics 2017-11-15 A. Koliogiorgos , S. Baskoutas , I. Galanakis

Inorganic lead-free double perovskites represent particular interest as non-toxic and stable material platform for optoelectronic applications. Here, we employ Brillouin light scattering spectroscopy to investigate the elastic properties…

All-inorganic halide perovskites have received a lot of attention as attractive alternatives to overcome the stability issues of hybrid halide perovskites that are commonly associated with organic cations. To find a compromise between the…

Materials Science · Physics 2026-04-28 Mike Pols , Adri C. T. van Duin , Sofía Calero , Shuxia Tao

The effect of pressure on the structural evolution, enhancement of photoluminescence intensity and optical band gap of a vacancy ordered double halide perovskite Cs$_2$TeCl$_6$ is investigated systematically. We use synchrotron x-ray…

Tin-based halide perovskites have emerged as promising lead-free alternatives for optoelectronic applications, yet their structural stability and phase behavior at finite temperatures remain challenging to predict. Here, we assess the…

Materials Science · Physics 2026-05-18 Thiago Puccinelli , Lucas Martin Farigliano , Gustavo Martini Dalpian

Inorganic halide perovskite \ce{Cs(Rb)PbI3} has attracted significant research interest in the application of light-absorbing material of perovskite solar cells (PSCs). Although there have been extensive studies on structural and electronic…

Materials Science · Physics 2018-07-09 Un-Gi Jong , Chol-Jun Yu , Yun-Hyok Kye , Chol-Ho Kim , Son-Guk Ri , Yue Chen

Cs$_2$KInI$_6$ is a promising lead-free halide double perovskite with a calculated direct band gap of 1.24 eV, ideal for solar cell applications. Our first-principles calculations reveal that its cubic phase (Fm$\bar{3}$m) is dynamically…

Lattice defects affect the long-term stability of halide perovskite solar cells. Whereas simple point defects, i.e., atomic interstitials and vacancies, have been studied in great detail, here we focus on compound defects that are more…

Materials Science · Physics 2022-09-09 Haibo Xue , José Manuel Vicent-Luna , Shuxia Tao , Geert Brocks

Using nanoprobe X-ray diffraction microscopy, we investigate the relationship between residual strains from crystal growth in CsPbBr$_3$ thin film crystals, their stability, and local bandgap. We find that out-of-plane compressive strain…

Materials Science · Physics 2018-11-29 Xueying Li , Yanqi Luo , Martin Holt , Zhonghou Cai , David P. Fenning

We report the single-crystal X-ray analysis and magnetic properties of a new double-layered perovskite antiferromagnet, Cs$_3$Cu$_2$Cl$_4$Br$_3$. This structure is composed of Cu$_2$Cl$_4$Br$_3$ double layers with elongated CuCl$_4$Br$_2$…

Strongly Correlated Electrons · Physics 2015-06-25 F. Yamada , T. Ono , H. Tanaka , J. Yamaura

The instability of metal halide perovskites upon exposure to moisture or heat strongly hampers their applications in optoelectronic devices. Here, we report the large-yield synthesis of highly water-resistant total-inorganic green…

Materials Science · Physics 2021-07-14 Tianyuan Liang , Wenjie Liu , Xiaoyu Liu , Yuanyuan Li , Wenhui Wu , Jiyang Fan

Epitaxial single-crystalline CsPbBr3 perovskite films on mica, prepared ex-situ, are explored using a low-temperature scanning tunneling microscope (STM) by probing the unoccupied electronic states of their surface in ultra-high vacuum…

Materials Science · Physics 2026-02-20 Eric Duverger , Vladimir Bruevich , Vitaly Podzorov , Damien Riedel