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A first-principles atomic orbital-based electronic structure method is used to investigate the low index surfaces of rutile Titanium Dioxide. The method is relatively cheap in computational terms, making it attractive for the study of oxide…

Materials Science · Physics 2009-10-28 O. Gulseren , R. James , D. W. Bullett

We report the first observation of re-entrant layer-by-layer etching based on {\it in situ\/} reflection high-energy electron-diffraction measurements. With AsBr$_3$ used to etch GaAs(001), sustained specular-beam intensity oscillations are…

Condensed Matter · Physics 2016-08-31 T. Kaneko , P. Šmilauer , B. A. Joyce , T. Kawamura , D. D. Vvedensky

We present an in-depth analysis of the atomic and electronic structure of the quasi one-dimensional (1D) surface reconstruction of Ga on Si(112) based on Scanning Tunneling Microscopy and Spectroscopy (STM and STS), Rutherford…

Other Condensed Matter · Physics 2007-05-23 P. C. Snijders , C. Gonzalez , S. Rogge , R. Perez , J. Ortega , F. Flores , H. H. Weitering

Atomic layer deposition allows for precise control over film thickness and conformality. It is a critical enabler of high aspect ratio structures, such as 3D NAND memory, since its self-limiting behavior enables higher conformality than…

We investigate a bi-layer scheme for circularly polarized infrared thermal radiation. Our approach takes advantage of the strong anisotropy of low-symmetry materials such as $\beta$-Ga$_2$O$_3$ and $\alpha$-MoO$_3$. We numerically report…

Beta-phase gallium oxide ($\beta$-Ga$_2$O$_3$) research has gained accelerated pace due to its superiorly large bandgap and commercial availability of large-diameter native substrates. However, the high acceptor activation energy obstructs…

A combined experimental/theoretical study of the EPR in irradiated $\beta$-Ga$_2$O$_3$ is presented. Four EPR spectra, two $S=1/2$ and two $S=1$, are observed after high-energy proton or electron irradiation. One of the S=1/2 spectra (EPR1)…

Ga-rich GaAs (001) surfaces are successfully observed during high-temperature annealing by scanning tunneling microscopy (STM). With a substrate temperature of 550 C, reflection high-energy diffraction patterns and reflectance anisotropy…

Atomic and Molecular Clusters · Physics 2007-05-23 Shiro Tsukamoto , Markus Pristovsek , Bradford G. Orr , Akihiro Ohtake , Gavin R. Bell , Nobuyuki Koguchi

SrHfO3 is a potential dielectric material for metal-oxide-semiconductor (MOS) devices. SrHfO3/GaAs interface has attracted attention due to its unique properties. In this paper, the interface properties of (001) SrHfO3/GaAs are investigated…

Materials Science · Physics 2018-02-14 Li-Bin Shi , Xiao-Ming Xiu , Xu-Yang Liu , Kai-Cheng Zhang , Chun-Ran Li , Hai-Kuan Dong

Semiconducting oxides possess a variety of intriguing electronic, optical, and magnetic properties, and native defects play a crucial role in these systems. In this study, we study the influence of native defects on these properties of…

Materials Science · Physics 2023-06-12 Poonam Sharma , Vikash Mishra , Alok Shukla

We introduce a deep-recessed gate architecture in $\beta$-Ga$_2$O$_3$ delta-doped field effect transistors for improvement in DC-RF dispersion and breakdown properties. The device design incorporates an unintentionally doped…

Calculations of formation energies and charge transition levels of defects routinely rely on density functional theory (DFT) for describing the electronic structure. Since bulk band gaps of semiconductors and insulators are not well…

Materials Science · Physics 2012-04-19 Audrius Alkauskas , Alfredo Pasquarello

First principles density functional calculations are used to study the early oxidation stages of the Mg(0001) surface for oxygen coverages 1/16 <= Theta <= 3 monolayers. It is found that at very low coverages O is incorporated below the…

Materials Science · Physics 2015-06-24 Elsebeth Schroder , Roman Fasel , Adam Kiejna

Design of nuclear materials with high radiation-tolerance has great significance1, especially for the next generation of nuclear energy systems2,3. Response of nano- and poly-crystals to irradiation depends on the radiation temperature,…

We present detailed experimental studies of the temperature dependence of the plateau conductance of GaAs quantum point contacts in the temperature range from 0.3 K to 10 K. Due to a strong lateral confinement produced by a shallow-etching…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 A. E. Hansen , A. Kristensen , H. Bruus

Due to its low symmetry, $\beta$-Ga$_{2}$O$_{3}$ exhibits a strongly anisotropic optical response. As a result, the absorption spectra change with the polarization state of the incoming photons. To understand this phenomenon, here we…

Materials Science · Physics 2024-07-02 Md Mohsinur Rahman Adnan , Darpan Verma , Chris Sturm , Matthias Schubert , Roberto C. Myers

The multifaceted physics of oxides is shaped by their composition and the presence of defects, which are often accompanied by the formation of polarons. The simultaneous presence of polarons and defects, and their complex interactions, pose…

Ab initio calculations were applied to large size slabs simulations for determination of the properties of the principal structures of the stoichiometric GaN(0001) surface. The results are different from published previously: stoichiometric…

Materials Science · Physics 2024-06-06 Paweł Strak , Wolfram Miller , Stanisław Krukowski

Tungsten is a promising candidate material for plasma-facing armour components in future fusion reactors. A key concern is irradiation-induced degradation of its normally excellent thermal transport properties. In this comprehensive study,…

Materials Science · Physics 2021-11-16 Abdallah Reza , Guanze He , Cody A. Dennett , Hongbing Yu , Kenichiro Mizohata , Felix Hofmann

We present a fingerprint-like method to analyze material defects after energetic particle irradiation by computing a rotation invariant descriptor vector for each atom of a given sample. For ordered solids this new method is easy to use,…

Materials Science · Physics 2019-10-15 F. J. Dominguez-Gutierrez , U. von Toussaint