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The surface properties of solid-state materials often dictate their functionality, especially for applications where nanoscale effects become important. The relevant surface(s) and their properties are determined, in large part, by the…

Materials Science · Physics 2024-03-19 Kyle Noordhoek , Christopher J. Bartel

Experimental studies of Zn1-xCoxO as thin films or nanocrystals have found ferromagnetism and Curie temperatures above room temperature and that p- or n-type doping of Zn1-xCoxO can change its magnetic state. Bulk Zn1-xCoxO with a low…

Materials Science · Physics 2013-05-29 Charles H. Patterson

The hexagonal multiferroic oxide YMnO$_3$ has demonstrated applications in various fields and is widely researched due to its interesting properties. Since Mn(3d)--O(2p) interactions predominate close to the Fermi level, doping in the…

Materials Science · Physics 2025-10-22 Kazi Mazba Kamal , Alamgir Kabir

We calculate the nature of magnetic interactions in transition-metal doped ZnO using the local spin density approximation and LSDA+\textit{U} method of density functional theory. We investigate the following four cases: (i) single…

Materials Science · Physics 2009-11-11 Priya Gopal , Nicola A. Spaldin

Ab initio calculations and angle-resolved photoemission experiments show that the bulk and surface electronic structure of Weyl semimetal candidate MoTe$_2$ changes significantly by tuning the chemical potential by less than 0.4 eV.…

ZnCoO is one of the most studied and promising semiconductor materials for spintronics applications. In this work we discuss optical and electrical properties of ZnCoO films and nanoparticles grown at low temperature by either Atomic Layer…

Materials Science · Physics 2014-01-21 E. Wolska , M. Łukasiewicz , J. D. Fidelus , W. Łojkowski , E. Guziewicz , M. Godlewski

Cold electropolishing (EP) of a nitrogen-doped (N-doped) niobium (Nb) superconducting RF (SRF) cavity was found to improve its quality factor. In order to understand the effect of EP temperature on N-doped and undoped surfaces, a systematic…

Applied Physics · Physics 2022-08-10 V. Chouhan , F. Furuta , M. Martinello , T. Ring , G. Wu

Most of the applications of the nano structures dependent on the morphology which affects the opto electronics properties. This research article provides a pathway of guiding optical properties like band-gap and fluorescence properties by…

The influence of magnetic dopants on the electronic and chemical environments in topological insulators (TIs) is a key factor when considering possible spintronic applications based on topological surface state properties. Here we provide…

Doping is an effective way to tune the property of metal oxides1-5, for achieving functional oxide electronics6-8. Previously we developed a controllable hydrogen doping technology at ambient conditions by use of electron-proton synergistic…

Applied Physics · Physics 2021-03-30 Yuliang Chen , Changlong Hu , Liyan Xie , Xiaoyu Zhou , Bowen Li , Hui Ren , Liang Li , Guobin Zhang , Jun Jiang , Chongwen Zou

Zinc oxide which is a n-type semiconducting metal oxide (SMO) has been a promising material for detecting ethanol vapor. However, pure ZnO based ethanol sensors often suffer from high working temperature, cross sensitivity towards methanol…

Strain dependence of electronic structures and work functions of both pristine and potassium doped (5,5) (armchair) and (9,0) (zigzag) carbon nanotubes (CNTs) has been thoroughly studied using first-principles calculations based on density…

Materials Science · Physics 2011-08-02 Yongqing Cai , Aihua Zhang , Yuan Ping Feng , Chun Zhang , Hao Fatt Teo , Ghim Wei Ho

The geometrical and electronic structure of potassium doped phenanthrene, \ce{K3C14H10}, have been studied by first-principles density functional theory. The main effect of potassium doping is to inject charge in the narrow phenanthrene…

Materials Science · Physics 2011-06-03 P. L. de Andres , A. Guijarro , J. A. Verges

The doping of graphene to tune its electronic structure is essential for its further use in carbon based electronics. Adapting strategies from classical silicon based semiconductor technology, we use the incorporation of heteroatoms in the…

Niobium superconducting radiofrequency cavities enable applications in modern accelerators and quantum computers. However, the surface resistance significantly deteriorates the cavities performance. Nitrogen doping surface treatment can…

Materials Science · Physics 2022-07-28 Xiaotian Fang , Jin-Su Oh , Matt Kramer , A. Romanenko , A. Grassellino , John Zasadzinski , Lin Zhou

Tuning band gaps in two-dimensional (2D) materials is of great interest in the fundamental and practical aspects of contemporary material sciences. Recently, black phosphorus (BP) consisting of stacked layers of phosphorene was…

Materials Science · Physics 2017-09-13 Sun-Woo Kim , Hyun Jung , Hyun-Jung Kim , Jin-Ho Choi , Su-Huai Wei , Jun-Hyung Cho

First-principles calculations based on density functional theory (DFT) and the pseudopotential method have been used to study the stoichiometric and reduced SnO2 (110) surface. The ionic relaxations are found to be moderate for both the…

mtrl-th · Physics 2009-10-28 I. Manassidis , J. Goniakowski , L. N. Kantorovich , M. J. Gillan

The study particularly focuses on the effect of the Cr co-doping on the structural, optical and magnetic properties of Zn0.99Fe0.01O. Zn0.99-xFe0.01CrxO (x =0, 0.01, 0.03 and 0.05) nanoparticles. Powder x-ray diffraction (XRD) analysis…

Materials Science · Physics 2021-11-16 H. S. Lokesha , P. Mohanty , C. J. Sheppard , A. R. E. Prinsloo

Recent technological advancement in ZnO heterostructures has expanded the possibility of device functionalities to various kinds of applications. In order to extract novel device functionalities in the heterostructures, one needs to…

Materials Science · Physics 2014-08-19 Y. Kozuka , A. Tsukazaki , M. Kawasaki

In this letter, we have investigated the third-order optical nonlinearities of high-quality Ni doped ZnO nanorods crystallized in wurtzite lattice, prepared by the wet chemical method. In our experiments, we found that the two photon…

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