M. M. Moharam, Sana Ullah Asif, Ebraheem Abdu Musad Saleh, Raed H. Althomali, Sabiha Sabeen, Gehan M. Nabil, Asmaa F. Kassem, Muhammad Irfan, Imran Khan
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引用次数: 0
摘要
从太阳能电池和发光二极管到超导和巨大的磁阻,以及拓扑绝缘体,包罗万象的各种特性使它们能够被广泛应用于各种技术中。过氧化物是传统太阳能电池中硅的理想替代品,可用于固态照明、传感和能量收集,而其他过氧化物则具有介电固体特性。声子和电子-声子相互作用在材料中发挥着重要作用,尤其是在硒-p、铝-s,p、铒-s,d 和硒-d 轨道之间的杂化中。这种杂化对于理解能隙和折射率至关重要,而能隙和折射率对于制造光电器件至关重要。光学光谱显示,根据杂化带之间的能隙,在 4.0 至 12.0 eV 之间有一个突出的吸收峰。我们观察到母体和掺杂化合物分别具有较高的 ZT 值(0.42)和(1.45)。这两种化合物的塞贝克系数都在 50-800 K 的正值范围内,表明它们是 p 型材料,过了这个范围,它们的性质就变成了 n 型。据观察,处于高反射率区域的材料具有很强的热电能力,可用于太阳能加热。带隙调谐会影响它们的光电能力,这对于开发极其高效的光电/发光器件至关重要。
First-principles study on optoelectronic and transport properties of Al-based perovskites for energy applications
Perovskites are a class of materials with a diversified combination of various properties that allow them to be used in a wide range of technologies, from solar cells and LEDs to superconductivity and enormous magneto-resistance, as well as topological insulators. Perovskites, established as promising replacements for silicon in conventional solar cells, are employed in solid-state illumination, sensing, and energy harvesting, while others, like oxide perovskites, have dielectric solid properties. Phonons and electron–phonon interactions play a significant role in materials, especially in the hybridization between Sr-p, Al-s,p, Er-s,d, and Ce-d orbitals. This hybridization is essential for understanding the energy gap and refractive index, which are crucial for fabricating optoelectronic devices. Optical spectra reveal a prominent absorption peak between 4.0 and 12.0 eV, depending on the energy gap between the hybridized bands. The Boltztrap code calculates the thermoelectric characteristics of perovskite oxides in the temperature range of 0 to 800 K. We observed that parental and doped compounds have a higher merit ZT value (0.42) and (1.45), respectively. The Seebeck coefficients of both compounds fall into the positive range of 50–800 K, indicating that they are p-type materials, and after this range, their nature changed to n-type. It is observed that materials in the high reflectivity zone have strong thermoelectric capabilities and could be useful for solar heating. The band gap tuning affects their optoelectronic capabilities, which are essential for developing extremely efficient optoelectronic/luminescent devices.
期刊介绍:
Optical and Quantum Electronics provides an international forum for the publication of original research papers, tutorial reviews and letters in such fields as optical physics, optical engineering and optoelectronics. Special issues are published on topics of current interest.
Optical and Quantum Electronics is published monthly. It is concerned with the technology and physics of optical systems, components and devices, i.e., with topics such as: optical fibres; semiconductor lasers and LEDs; light detection and imaging devices; nanophotonics; photonic integration and optoelectronic integrated circuits; silicon photonics; displays; optical communications from devices to systems; materials for photonics (e.g. semiconductors, glasses, graphene); the physics and simulation of optical devices and systems; nanotechnologies in photonics (including engineered nano-structures such as photonic crystals, sub-wavelength photonic structures, metamaterials, and plasmonics); advanced quantum and optoelectronic applications (e.g. quantum computing, memory and communications, quantum sensing and quantum dots); photonic sensors and bio-sensors; Terahertz phenomena; non-linear optics and ultrafast phenomena; green photonics.