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The development of high performance transparent conducting oxides (TCOs) is critical to many technologies from transparent electronics to solar cells. While n-type TCOs are present in many devices, current p-type TCOs are not largely…

材料科学 · 物理学 2017-04-05 Geoffroy Hautier , Anna Miglio , Gerbrand Ceder , Gian-Marco Rignanese , Xavier Gonze

Fulfillment of the promise of transparent electronics has been hindered until now largely by the lack of semiconductors that can be doped p-type in a stable way, and that at the same time present high hole mobility and are highly…

材料科学 · 物理学 2016-03-01 Nasrin Sarmadian , Rolando Saniz , Bart Partoens , Dirk Lamoen

High-performance $p$-type transparent conducting materials (TCMs) must exhibit a rare combination of properties including high mobility, transparency and $p$-type dopability. The development of high-mobility/conductivity $p$-type TCMs is…

Gallium oxide (Ga2O3) is a wide-band-gap semiconductor promising for UV sensors and high power transistor applications, with Baliga's figure of merit that far exceeds those of GaN and SiC, second only to diamond. Engineering its band…

材料科学 · 物理学 2019-06-04 Fernando P. Sabino , Xuefen Cai , Su-Huai Wei , Anderson Janotti

Transparent conducting oxides (TCOs) represent a remarkable class of materials that possess both excellent electrical conductivity and high optical transparency, which are typically considered mutually exclusive in traditional materials. In…

材料科学 · 物理学 2024-10-22 Jarnail Singh , Pankaj Bhardwaj

Wide band gap semiconductors are essential for today's electronic devices and energy applications due to their high optical transparency, as well as controllable carrier concentration and electrical conductivity. There are many categories…

First-principles calculations of the mayenite-based oxide, [Ca12Al14O32]{2+}(2e-), reveal the mechanism responsible for its high conductivity. A detailed comparison of the electronic and optical properties of this material with those of the…

材料科学 · 物理学 2009-11-10 J. E. Medvedeva , A. J. Freeman

Using a representative translational dimer model, high throughput calculations are implemented for fast screening of a total of 74 diacenaphtho-extended heterocycle (DAH) derivatives as hole transport layer (HTL) materials in perovskite…

Superconducting thin films of niobium have been extensively employed in transmon qubit architectures. Although these architectures have demonstrated remarkable improvements in recent years, further improvements in performance through…

Combination of electrical conductivity and optical transparency in the same material -- known to be a prerogative of only a few oxides of post-transition metals, such as In, Sn, Zn and Cd -- manifests itself in a distinctive band structure…

材料科学 · 物理学 2009-11-13 J. E. Medvedeva

Metallic conductors that are optically transparent represent a rare breed of generally contraindicated physical properties that are nevertheless critically needed for application where both functionalities are crucial. Such rare materials…

材料科学 · 物理学 2019-06-26 Feng Yan , Xiuwen Zhang , Yonggang Yu , Liping Yu , Arpun Nagaraja , Thomas O. Mason , Alex Zunger

We present research results on the electronic transport in heterostructures based on p-type nickel oxide (NiO) with the n-type oxide semiconductors zinc oxide (ZnO) and cadmium oxide (CdO). NiO is a desirable candidate for application in…

Transparent conducting oxides (TCOs) and transparent oxide semiconductors (TOSs) have become necessary materials for a variety of applications in the information and energy technologies, ranging from transparent electrodes to active…

A comparison of the structural, optical and electronic properties of the recently discovered transparent conducting oxide (TCO), nanoporous Ca12Al14O33, with those of the conventional TCO's (such as Sc-doped CdO) indicates that this…

材料科学 · 物理学 2009-11-10 J. E. Medvedeva , A. J. Freeman

Although $\beta$-TeO$_2$ is a promising $p$-type transparent conducting oxide (TCO) due to the large optical gap ($\sim$ 3.7 eV) and a light effective hole mass, its hole dopability still remains unexplored. In this work, electronic…

材料科学 · 物理学 2025-11-20 Vu Thi Ngoc Huyen , Soungmin Bae , Rafael Costa-Amaral , Yu Kumagai

Epitaxial bilayer silicon oxide is a transferable two-dimensional material predicted to be a wide band gap semiconductor, with potential applications for deep UV optoelectronics, or as a building block of van der Waals heterostructures. The…

In the last decade the ns$^2$ cations (e.g., Pb$^{2+}$ and Sn$^{2+}$) based halides have emerged as one of the most exciting new classes of optoelectronic materials, as exemplified by for instance hybrid perovskite solar absorbers. These…

The band structure, optical and defects properties of Ba_{2}TeO are systematically investigated using density functional theory with a view to understanding its potential as an optoelectronic or trans- parent conducting material. Ba_{2}TeO…

材料科学 · 物理学 2015-06-11 Jifeng Sun , Hongliang Shi , Mao-Hua Du , Theo Siegrist , David J. Singh

Like single perovskites, halide double perovskites (HDP) have truly emerged as efficient optoelectronic materials since they display superior stability and are free of toxicity. However, challenges still exist due to either wide and…

材料科学 · 物理学 2023-09-13 Mayank Gupta , Susmita Jana , B. R. K. Nanda

Motivated by the recently renewed interest in the superconducting bismuth perovskites, we investigate the electronic structure of the parent compounds ABiO$_{3}$ (A= Sr, Ba) using $ab$ $initio$ methods and tight-binding (TB) modeling. We…

材料科学 · 物理学 2018-02-06 Arash Khazraie , Kateryna Foyevtsova , Ilya Elfimov , George A. Sawatzky
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