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The structural, magnetic, vibrational and electronic properties of single layer aluminum oxide (AlO2) are investigated by performing state-of-the-art first-principles calculations. Total energy optimization and phonon calculations reveal…

Materials Science · Physics 2022-02-10 A. Kutay Ozyurt , Deniz Molavali , Hasan Sahin

In this work, the nucleation and growth mechanism of aluminum oxide (Al2O3) in the early stages of the direct atomic layer deposition (ALD) on monolayer epitaxial graphene (EG) on silicon carbide (4H-SiC) has been investigated by atomic…

We report and discuss the first neutron reflection measurements from the free surface of normal and superfluid 4He and of liquid 3He-4He mixture. In case of liquid 4He the surface roughness is different above and below the lambda…

Other Condensed Matter · Physics 2008-11-20 T. R. Charlton , R. M. Dalgliesh , A. Ganshin , O. Kirichek , S. Langridge , P. V. E. McClintock

Recently theorized hybrid II-IV-N{_2} / III-N heterostructures, based on current commercialized (In,Ga)N devices, are predicted to significantly advance the design space of highly efficient optoelectronics in the visible spectrum, yet there…

Materials Science · Physics 2020-02-11 M. Brooks Tellekamp , Celeste L. Melamed , Andrew G. Norman , Adele Tamboli

The advent of nanotechnology has hurtled the discovery and development of nanostructured materials with stellar chemical and physical functionalities in a bid to address issues in energy, environment, telecommunications and healthcare. In…

Site-controlled quantum dots formed during the deposition of (Al)GaAs layers by metalorganic vapor-phase epitaxy on GaAs(111)B substrates patterned with inverted pyramids result in geometric and compositional self-ordering along the…

Materials Science · Physics 2013-06-11 V. Dimastrodonato , E. Pelucchi , P. A. Zestanakis , D. D. Vvedensky

Zirconium nitride (ZrN) is a refractory material with good mechanical and thermal properties. It is therefore a good candidate for hard surface treatment at high temperature. In this work, we report the growth and characterization of ZrN by…

Materials Science · Physics 2025-05-13 Luc Pichon , A. Straboni , T. Girardeau , M. Drouet , P. Widmayer

Aluminum alloys, the most widely utilized lightweight structural materials, predominantly depend on coherent complex-structured nano-plates to enhance their mechanical properties. Despite several decades of research, the atomic-scale…

Materials Science · Physics 2024-10-22 Junyuan Bai , Gaowu Qin , Xueyong Pang , Zhihao Zhao

Nanoscrolls consist of sheets rolled up into a papyrus-like form. Their open ends produce great radial flexibility, which can be exploited for a large variety of applications, from actuators to hydrogen storage. They have been successfully…

Mesoscale and Nanoscale Physics · Physics 2015-06-02 Eric Perim , Douglas S. Galvao

The atomic structure and properties of nanoparticulate Fe2O3 are characterized starting from its smallest Fe2O3 building unit through (Fe2O3)n clusters to nanometer-sized Fe2O3 particles. This is achieved by combining global structure…

Materials Science · Physics 2024-05-30 Andreas Erlebach , Heinz-Dieter Kurland , Janet Grabow , Frank A. Müller , Marek Sierka

The electronic structures of epitaxially grown films of Ti3AlC2, Ti3SiC2 and Ti3GeC2 have been investigated by bulk-sensitive soft X-ray emission spectroscopy. The measured high-resolution Ti L, C K, Al L, Si L and Ge M emission spectra are…

Soft-X-ray emission and absorption spectroscopies with their elemental specificity are used to determine the local electronic structure of N atoms in Ga(In)AsN diluted semiconductor alloys (N concentrations about 3%) in view of applications…

Nanomaterial surface states can effectively modify or even dominate their physical and chemical properties due to large surface-to-volume ratios. Such surface effects are highly dependent on particle size and ligand coverage, yet the…

Materials Science · Physics 2020-07-17 Guolei Xiang , Yan Tang , Zigeng Liu , Wei Zhu , Haitao Liu , Jiaou Wang , Guiming Zhong , Jun Li , Xun Wang

Honeycomb layered oxides are a novel class of nanostructured materials comprising alkali or alkaline earth metals intercalated into transition metal slabs. The intricate honeycomb architecture and layered framework endows this family of…

Materials Science · Physics 2021-10-01 Godwill Mbiti Kanyolo , Titus Masese

We have investigated clean and As-covered zinc-blende GaN (001) surfaces, employing first-principles total-energy calculations. For clean GaN surfaces our results reveal a novel surface structure very different from the well-established…

The bonding properties of tilt boundary in poly-silicon and the effect of interstitial impurities are investigated by first-principles. In order to obtain thorough information on the nature of chemical bondings in these solid systems, an…

Materials Science · Physics 2022-05-31 Rita Maji , Eleonora Luppi , Elena Degoli , Julia Contreras-García

A new class of tetragonally symmetric 2D octagonal family of monolayers (o-MLs) has emerged recently and demands understanding at the fundamental level. o-MLs of metal nitride and carbide family (BN, AlN, GaN, GeC, SiC) along with C and BP…

Materials Science · Physics 2020-03-03 Prashant Vijay Gaikwad , Anjali Kshirsagar

A new dislocation structure-square-octagon pair (4|8) is discovered in two-dimensional boron nitride (h-BN), via first-principles calculations. It has lower energy than corresponding pentagon-heptagon pairs (5|7), which contain unfavorable…

Materials Science · Physics 2012-08-02 Yuanyue Liu , Xiaolong Zou , Boris I. Yakobson

Most III-nitride semiconductors are grown on non-lattice-matched substrates like sapphire or silicon due to the extreme difficulty of obtaining a native GaN substrate. We show that several layered transition-metal dichalcogenides are…

Surface diffusion has an impact on the lateral resolution of nanostructures in bottom-up atom nanofabrication. In this paper we study the effects of the gallium atoms self-assembled on silicon surfaces (100) patterned with trenches at…

Materials Science · Physics 2009-11-10 B. Fazio , O. M. Marago' , E. Arimondo , C. Spinella , C. Bongiorno , G. D'Arrigo
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