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Electronic structures of Ge$_{1-x}$Sn$_{x}$ alloys (0 $\leq$ $x$ $\leq$ 1) are theoretically studied by nonlocal empirical pseudopotential method. For relaxed Ge$_{1-x}$Sn$_{x}$, a topological semimetal is found for $\textit x$ $>$ 41$\%$…

Mesoscale and Nanoscale Physics · Physics 2017-05-24 H. -S. Lan , S. T. Chang , C. W. Liu

The electronic structure and magnetism of individual Dy atom adsorbed on the MgO(001) substrate is investigated using the combination of the density functional theory with the Hubbard-I approximation to the Anderson impurity model…

Materials Science · Physics 2023-06-16 Alexander B. Shick , Eduard Belsch , Alexander I. Lichtenstein

Being the simplest element with just one electron and proton the electronic structure of the Hydrogen atom is known exactly. However, this does not hold for the complex interplay between them in a solid and in particular not at high…

Materials Science · Physics 2014-06-23 Sam Azadi , Thomas D. Kühne

A remarkably quantitative understanding of the electrical and mechanical properties of metal wires with a thickness on the scale of a nanometer has been obtained within the free-electron model using semiclassical techniques. Convergent…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 C. A. Stafford , F. Kassubek , H. Grabert

We calculate the temperature, density, and parallel magnetic field dependence of low temperature electronic resistivity in 2D high-mobility Si/SiGe quantum structures, assuming the conductivity limiting mechanism to be carrier scattering by…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 E. H. Hwang , S. Das Sarma

Scanning tunneling microscopy (STM) reveals unusual sharp features in otherwise defect free bismuth nanolines self-assembled on Si(001). They appear as subatomic thin lines perpendicular to the bismuth nanoline at positive biases and as…

Mesoscale and Nanoscale Physics · Physics 2017-08-16 C. J. Kirkham , M. Longobardi , S. A. Koster , Ch. Renner , D. R. Bowler

Renewed focus on the P-Si system due to its potential application in quantum computing and self-directed growth of molecular wires, has led us to study structural changes induced by P upon placement on Si(001)-$p(2\times 1)$. Using…

Materials Science · Physics 2009-11-11 Prasenjit Sen , Bikash C Gupta , Inder P. Batra

Electron conduction through quasi-one-dimensional (1D) indium atomic wires on silicon (the Si(111)-4x1-In reconstruction) is clarified with the help of local structural analysis using scanning tunneling microscopy. The reconstruction has a…

Materials Science · Physics 2009-11-07 Takashi Uchihashi , Urs Ramsperger

It has long been anticipated that the ultimate in miniature circuitry will be crafted of single atoms. Despite many advances made in scanned probe microscopy studies of molecules and atoms on surfaces, challenges with patterning and limited…

The group-IV diamond-structure elements are known to host a variety of planar defects, including {001} planar defects in C and {001}, {111} and {113} planar defects in Si and Ge. Among the {001} planar defects, the Humble defect, known for…

Materials Science · Physics 2022-10-19 Shang Ren , Hongbin Yang , Sobhit Singh , Philip E. Batson , Eric L. Garfunkel , David Vanderbilt

We show that artificial magnetism of periodic dielectric or metal/dielectric structures has limitations and is subject to at least two "uncertainty principles". First, the stronger the magnetic response (the deviation of the effective…

Optics · Physics 2016-02-17 Igor Tsukerman , Vadim A. Markel

We found that magnetic ground state of one-dimensional atomic chains of carbon-transition metal compounds exhibit half-metallic properties. They are semiconductors for one spin-direction, but show metallic properties for the opposite…

Materials Science · Physics 2009-11-11 S. Dag , S. Tongay , T. Yildirim , E. Durgun , R. T. Senger , C. Y. Fong , S. Ciraci

The spin-dependent electronic structures of aluminum-(Al) doped zigzag silicene nanoribbons (ZSiNRs) are investigated by first-principles calculations. When ZSiNRs are substitutionally doped by a single Al atom on different sites in every…

Materials Science · Physics 2014-09-01 Y. J. Dong , X. F. Wang , P. Vasilopoulos , M. X. Zhai , X. M. Wu

Continued advances in quantum technologies rely on producing nanometer-scale wires. Although several state-of-the-art nanolithographic technologies and bottom-up synthesis processes have been used to engineer such wires, critical challenges…

Unique electronic properties of self-organized Au atom chains on Ge(001) in novel c(8x2) long-range order are revealed by scanning tunneling microscopy. Along the nanowires an exceptionally narrow conduction path exists which is virtually…

Strongly Correlated Electrons · Physics 2009-11-13 J. Schaefer , C. Blumenstein , S. Meyer , M. Wisniewski , R. Claessen

Equilibrium structure, local densities of states, and electronic transport in a gold nanowire made of a four-atom chain supported by two gold electrodes, which has been imaged recently by high-resolution electron microscopy, and chemical…

Materials Science · Physics 2007-05-23 Hannu Hakkinen , Robert N. Barnett , Uzi Landman

New advances in single-atom manipulation are leading to the creation of atomic structures on H passivated Si surfaces with functionalities important for the development of atomic and molecular based technologies. We perform total-energy and…

Materials Science · Physics 2015-06-22 Mikaël Kepenekian , Roberto Robles , Riccardo Rurali , Nicolás Lorente

Self-assembled Au atomic wires on stepped Si surfaces are metallic, as evidenced by a one-dimensionally dispersing plasmonic excitation. Here we investigate the effects of oxidization on metallicity along such Au atomic wires on a regularly…

Mesoscale and Nanoscale Physics · Physics 2019-03-13 Z. Mamiyev , M. Tzschoppe , C. Huck , A. Pucci , H. Pfnür

In a recent Letter, Zhao et al. [1] reported the origin of quasi-one-dimensional metal-insulator (MI) transitions in compound semiconductor surfaces. Based on a density-functional theory (DFT) calculation within the generalized gradient…

Mesoscale and Nanoscale Physics · Physics 2017-08-02 Sun-Woo Kim , Yoon-Gu Kang , Hyun-Jung Kim , Jun-Hyung Cho

We demonstrate the existence of atomically-sized topological solitons in a quasi one-dimensional charge density wave system: indium atomic wires on Si(111). Performing joint scanning tunneling microscopy and density-functional calculations,…

Materials Science · Physics 2020-12-02 Abdus Samad Razzaq , Sun Kyu Song , Tae-Hwan Kim , Han Woong Yeom , Stefan Wippermann