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When approaching the atomically thin limit, defects and disorder play an increasingly important role in the properties of two-dimensional materials. Superconductivity is generally thought to be vulnerable to these effects, but here we…

We investigate the effect of the p-type top contact on the optoelectronic characteristics of light emitting diodes (LEDs) based on (In,Ga)N/GaN nanowire (NW) ensembles grown by molecular beam epitaxy on Si substrates. We compare devices…

Lithium titanium oxide Li$_4$Ti$_5$O$_{12}$ (LTO) is an intriguing anode material promising particularly long lived batteries, due to its remarkable phase stability during (dis)charging of the cell. However, its usage is limited by its low…

Materials Science · Physics 2020-01-03 Matthias Kick , Cristina Grosu , Markus Schuderer , Christoph Scheurer , Harald Oberhofer

TaON and Ta3N5 are considered promising materials for photocatalytic and photoelectrochemical water splitting. But their counterpart Ta2O5 does not have good photocatalytic performance. This may cause by the different charge carrier…

Computational Physics · Physics 2021-05-10 Qianyu Zhao , Mengsi Cui , Taifeng Liu

Molybdenum and nitrogen co-doped $TiO_2$ nanotube arrays (TNAs) were prepared by anodizing in association with hydrothermal treatment. As-prepared Mo and N co-doped TNAs were characterized by field emission scanning electron microscopy,…

Materials Science · Physics 2014-01-06 Min Zhang , Juan Wu , Jian Hou , Jianjun Yang

Sn-doped In$_2$O$_3$ or ITO is the most widely used transparent conducting oxide. We use first-principles calculations to investigate the limitations to its transparency due to free-carrier absorption mediated by phonons or charged defects.…

Materials Science · Physics 2019-08-27 H. Peelaers , E. Kioupakis , C. G. Van de Walle

TaN thin film is an attractive interlayer as well as a diffusion barrier layer in [FeN/TaN](n) multilayers for the application as potential write-head materials in high-density magnetic recording. We synthesized two series of TaN films on…

Materials Science · Physics 2007-05-23 H. B. Nie , S. Y. Xu , S. J. Wang , L. P. You , Z. Yang , C. K. Ong , J. Li , T. Y. F. Liew

While defects such as oxygen vacancies in correlated materials can modify their electronic properties dramatically, understanding the microscopic origin of electronic correlations in materials with defects has been elusive. Lanthanum…

Strongly Correlated Electrons · Physics 2021-02-24 Xingyu Liao , Vijay Singh , Hyowon Park

Perovskite yttrium tantalum oxynitride is theoretically proposed as a promising semiconductor for solar water splitting because of the predicted bandgap and energy positions of band edges. In experiment, however, we show here that depending…

Zr/N co-doped TiO2 nanostructures were successfully synthesized using nanotubular titanic acid (NTA) as precursors by a facile wet chemical route and subsequent calcination. These Zr/N-doped TiO2 nanostructures made by NTA precursors show…

Materials Science · Physics 2013-12-31 Min Zhang , Xinluan Yu , Dandan Lu , Jianjun Yang

Indium tin oxide (Sn-doped In$_2$O$_{3-\delta}$ or ITO) is an interesting and technologically important transparent conducting oxide. This class of material has been extensively studied for decades, with research efforts focusing on the…

Mesoscale and Nanoscale Physics · Physics 2017-03-29 Juhn-Jong Lin , Zhi-Qing Li

We address one of the main challenges to TiO2-photocatalysis, namely band gap narrowing, by combining nanostructural changes with doping. With this aim we compare TiO2's electronic properties for small 0D clusters, 1D nanorods and…

Materials Science · Physics 2010-01-18 D. J. Mowbray , J. I. Martinez , J. M. García-Lastra , K. S. Thygesen , K. W. Jacobsen

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…

Materials Science · Physics 2009-11-13 J. E. Medvedeva

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…

Materials Science · Physics 2015-06-11 Jifeng Sun , Hongliang Shi , Mao-Hua Du , Theo Siegrist , David J. Singh

Tantalum nitride (TaN) has attracted considerable attention due to its unique electronic and thermal properties, high thermal conductivity, and applications in electronic components. However, for the {\theta}-phase of TaN, significant…

Materials Science · Physics 2025-08-06 Zhicheng Zong , Yangjun Qin , Jiahong Zhan , Haisheng Fang , Nuo Yang

The inherent network of nanopores and voids in silicon dioxide (SiO2) is generally undesirable for aspects of film quality, electrical insulation and dielectric performance. However, if we view these pores as natural nano-patterns embedded…

Titanium nitride halides, TiNX (X = F, Cl, Br, I) in the {\alpha}-phase (orthorhombic) are exciting quasi two-dimensional (2D) electronic systems exhibiting a fascinating series of electronic ground states under different conditions.…

Materials Science · Physics 2020-04-22 M. M. Hossain , S. H. Naqib

This study reports on the optical, structural, and dielectric properties of aluminum tantalum oxide (Al$_x$Ta$_y$O$_z$) thin films deposited at low temperature on silicon and steel substrates by pulsed direct current reactive magnetron…

Materials Science · Physics 2026-02-20 Pavel Ondračka , Richard Drevet , Daniel Franta , Jan Dvořák , Ivan Ohlídal , Petr Vašina

Hybrid photonic platforms are essential for integrating light sources with scalable on-chip optical circuits. Here, we demonstrate that tantalum pentoxide (Ta2O5) on insulator is a promising photonic material for such applications,…

The electronic properties of single- and multi-cation transparent conducting oxides (TCOs) are investigated using first-principles density functional approach. A detailed comparison of the electronic band structure of stoichiometric and…

Materials Science · Physics 2015-05-18 Julia E. Medvedeva , Chaminda L. Hettiarachchi