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To assess the potential optoelectronic applications of metal-halide perovskites, it is critical to have a detailed understanding of the nature, strength, and dynamics of the interactions between carriers and the polar lattices. Here, we…

Materials Science · Physics 2022-10-28 Xing He , Naveen Kumar Tailor , Soumitra Satapathi , Jakoah Brgoch , Ding-Shyue Yang

Layered hybrid perovskites have attracted much attention in recent years due to their emergent physical properties and exceptional functional performances, but the coexistence of lattice order and structural disorder severely hinders our…

Metal halide perovskites feature excellent absorption, emission and charge carrier transport properties. These materials are therefore very well suited for photovoltaics applications where there is a growing interest. Still, questions arise…

In the last decade, hybrid organic-inorganic halide perovskites have emerged as a new type of semiconductor for photovoltaics and other optoelectronic applications. Unlike standard, tetrahedrally bonded semiconductors (e.g. Si and GaAs),…

The optical conductivity of charge carriers coupled to quantum phonons is studied in the framework of the one-dimensional spinless Holstein model. For one electron, variational diagonalisation yields exact results in the thermodynamic…

Strongly Correlated Electrons · Physics 2007-06-13 Jan Loos , Martin Hohenadler , Andreas Alvermann , Holger Fehske

We present an experimental and theoretical viewpoint on the electronic carrier mobilities of typical hybrid organic-inorganic perovskites (HOIPs). While these mobilities are often quoted as high, a review of them shows that although…

Materials Science · Physics 2018-07-17 Thomas M. Brenner , David A. Egger , Andrew M. Rappe , Leeor Kronik , Gary Hodes , David Cahen

The toxicity and stability issues of lead-based perovskites motivate the search for non-toxic, durable alternatives. This work examines lead-free $\mathrm{Mg_3ZBr_3}$ ($Z=\mathrm{As,Sb,Bi}$) halide perovskites as optoelectronic materials,…

Materials Science · Physics 2026-02-03 Md Mohiuddin , Mohammed Mehedi Hasan , Alamgir Kabir

Solar cells based on metal-halide perovskite absorber layers have resulted in outstanding photovoltaic devices with long non-radiative lifetimes as a crucial feature enabling high efficiencies. Long non-radiative lifetimes occur if the…

Materials Science · Physics 2018-09-21 Thomas Kirchartz , Tom Markvart , Uwe Rau , David A. Egger

Peierls-Boltzmann transport equation, coupled with third-order anharmonic lattice dynamics calculations, has been widely used to model lattice thermal conductivity ($\kappa_{l}$) in bulk crystals. However, its application to materials with…

Materials Science · Physics 2018-11-08 Yi Xia , Maria K. Y. Chan

The low-frequency phonon branches of metal halide perovskites typically exhibit the characteristic of hardening with the increase of the cation mass, which leads to anomalous thermal transport phenomenon. However, the underlying physical…

Materials Science · Physics 2024-11-19 Yu Wu , Linxuan Ji , Shuming Zeng , Yimin Ding , Liujiang Zhou

Owing to their exceptional semiconducting properties, hybrid inorganic-organic perovskites show great promise as photovoltaic absorbers. In these materials, long-range diffusion of charge carriers allows for most of the photogenerated…

Organometal halide perovskite has emerged as a promising material for solar cells and optoelectronics. Although the long diffusion length of photo-generated carriers is believed to be a critical factor responsible for the material's high…

Materials Science · Physics 2016-12-30 Shuhao Liu , Lili Wang , Wei-Chun Lin , Sukrit Sucharitakul , Clemens Burda , Xuan. P. A. Gao

We report on near normal far- and mid-infrared emission and reflectivity of NdMnO3 perovskite from room temperature to sample decomposition above 1800 K. At 300 K the number infrared active phonons is in close agreement with the 25…

Anharmonic lattice vibrations govern the thermal dynamics in materials and present how the atoms interact and how they conduct heat. An indepth understanding of the microscopic mechanism of phonon anharmonicity in condensed systems is…

Materials Science · Physics 2021-12-30 Bin Wei , Qiyang Sun , Chen Li , Jiawang Hong

Tailoring the properties of correlated oxides is accomplished by chemical doping, pressure, temperature or magnetic field. Photoexcitation is a valid alternative to reach out-of-equilibrium states otherwise inaccessible. Here, we…

Crystalline compounds exhibiting low-frequency rattling phonons constitute an important class of high-performance thermoelectrics owning to their intrinsically very low lattice thermal conductivity ($\kappa_{l}$). Theoretical approach that…

Materials Science · Physics 2019-04-01 Yi Xia , Vidvuds Ozoliņš

Many complex crystals show a flattening or even increasing lattice thermal conductivity at high temperatures, which deviates from the traditional 1/T decay trend given by conventional phonon theory. In this work, we predict the thermal…

Materials Science · Physics 2023-12-20 Janak Tiwari , Tianli Feng

We present a Raman scattering study of Ca$_2$RuO$_4$, in which we investigate the temperature-dependence of the lattice dynamics and the electron-phonon interaction below the metal-insulator transition temperature ({\it T}$_{\rm MI}$).…

Strongly Correlated Electrons · Physics 2009-11-11 H. Rho , S. L. Cooper , S. Nakatsuji , H. Fukazawa , Y. Maeno

We investigate the electronic and vibrational spectra of SrTiO$_3$, as well as the coupling between them, using first-principles calculations. We compute electron-phonon scattering rates for the three lowest-energy conduction bands and use…

Lead-halide perovskites are semiconductor materials with attractive properties for photovoltaic and other optoelectronic applications. However, determining crucial electronic material parameters, such as charge-carrier mobility and…

Materials Science · Physics 2024-11-05 Ye Yuan , Genghua Yan , Samah Akel , Uwe Rau , Thomas Kirchartz