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The effects of nitridation on the density of traps at SiO$_2$/SiC interfaces near the conduction band edge were qualitatively examined by a simple, newly developed characterization method that utilizes Hall effect measurements and split…

Several models of oxygenated and hydrogenated surfaces of Si quantum wells and Si nanocrystals of variable shapes have been constructed in order to assess curvature effects on energy gaps due to the three Si-suboxides. Si-suboxides in…

Materials Science · Physics 2015-05-13 Pierre Carrier

We present a systematical study via scanning tunneling microscopy (STM) and low-energy electron diffraction (LEED) on the effect of the exposure of Lithium (Li) on graphene on silicon carbide (SiC). We have investigated Li deposition both…

Materials Science · Physics 2017-09-29 Sara Fiori , Yuya Murata , Stefano Veronesi , Antonio Rossi , Camilla Coletti , Stefan Heun

The atomic and electronic structures of the (001)-Si/(001)-gamma-Al2O3 heterointerface are investigated by first principles total energy calculations combined with a newly developed "modified basin-hopping" method. It is found that all…

Materials Science · Physics 2009-09-10 H. J. Xiang , Juarez L. F. Da Silva , Howard M. Branz , Su-Huai Wei

Using first principles, classical potentials, and elasticity theory, we investigated the structure of a semiconductor/semiconductor interface with a high lattice mismatch, SiC/Si(001). Among several tested possible configurations, a…

Materials Science · Physics 2007-09-12 Laurent Pizzagalli , Giancarlo Cicero , Alessandra Catellani

We determined the interface state density ($D_{\rm it}$) distributions in the vicinity of the conduction band edge in silicon carbide (SiC) metal-oxide-semiconductor (MOS) structures by reproducing the experimental current-voltage…

Materials Science · Physics 2020-09-07 Koji Ito , Takuma Kobayashi , Tsunenobu Kimoto

Band offsets at semiconductor-oxide interfaces are determined through a scheme based on hybrid density functionals, which incorporate a fraction $\alpha$ of Hartree-Fock exchange. For each bulk component, the fraction $\alpha$ is tuned to…

Materials Science · Physics 2008-09-19 Audrius Alkauskas , Peter Broqvist , Fabien Devynck , Alfredo Pasquarello

The silicon/silicon dioxide (Si/SiO2) interface plays a crucial role in the performance, cost, and reliability of most modern microelectronic devices, from the basic transistor to flash memory, digital cameras, and solar cells. Today the…

Optics · Physics 2009-11-11 Matthew Borselli , Thomas J. Johnson , Oskar Painter

Interface states at a boundary between regions with different spin-orbit interactions (SOIs) in two-dimensional (2D) electron systems are investigated within the one-band effective mass method with generalized boundary conditions for…

Mesoscale and Nanoscale Physics · Physics 2011-09-21 Aleksei A. Sukhanov , Vladimir A. Sablikov

Performing an analysis within density functional theory, we develop insight into the structural and electronic properties of the oxide heterostructure LaAlO3/SrTiO3. Electrostatic surface effects are decomposed from the internal lattice…

Materials Science · Physics 2015-05-13 U. Schwingenschloegl , C. Schuster

This paper reports on the physical and temperature-dependent electrical characterizations of the oxide/semiconductor interface in MOS capacitors with a SiO2 layer deposited on 4H-SiC using dichlorosilane and nitrogen-based vapor precursors.…

The deposition of a thin oxide layer at metal/semiconductor interfaces has been previously reported as a means of reducing contact resistance in 2D electronics. Using X-ray photoelectron spectroscopy with in-situ Ti deposition, we fabricate…

Materials Science · Physics 2019-10-10 Keren M. Freedy , David H. Olson , Patrick E. Hopkins , Stephen J. McDonnell

Materials with good carrier mobilities are desired for device applications, but in real devices the mobilities are usually limited by the presence of interfaces and contacts. Mobility degradation at semiconductor-dielectric interfaces is…

Materials Science · Physics 2016-06-13 Xiao Shen , Sokrates T. Pantelides

Point defects may introduce defect levels into the fundamental band gap of the host semiconductors that alter the electrical properties of the material. As a consequence, the in-gap defect levels and states automatically lower the threshold…

Materials Science · Physics 2023-10-23 Pei Li , Song Li , Péter Udvarhelyi , Bing Huang , Adam Gali

During the fabrication of heterogeneous structures inside chips, impurities and defects are inevitably introduced. However, the mechanism by which defects affect interfacial heat transport remains unclear. In this work, a microscale thermal…

Materials Science · Physics 2025-08-19 Ershuai Yin , Wenzhu Luo , Lei Wang , Qiang Li

To clarify the cause of the low channel conductivity at the SiO2/4H-SiC interface, the wavefunction at the SiC conduction band minimum was calculated using density functional theory under an applied electric field. We found that the…

Materials Science · Physics 2023-06-05 Hironori Yoshioka , Jun-Ichi Iwata , Yu-ichiro Matsushita

Several proposed applications and exotic effects in topological insulators rely on the presence of helical Dirac states at the interface between a topological and a normal insulator. In the present work, we have used low-energy…

Materials Science · Physics 2013-11-20 M. H. Berntsen , O. Götberg , B. M. Wojek , O. Tjernberg

Principal structural defects in graphene layers, synthesized on a carbon-terminated face, i.e. the SiC(000) face of a 4H-SiC substrate, are investigated using microscopic methods. Results of high-resolution transmission electron microscopy…

Electric field, uniform within the slab, emerging due to Fermi level pinning at its both sides is analyzed using DFT simulations of the SiC surface slabs of different thickness. It is shown that for thicker slab the field is nonuniform and…

Materials Science · Physics 2015-05-13 Jakub Soltys , Jacek Piechota , Michal Lopuszynski , Stanislaw Krukowski

The Seebeck coefficient in multilayer graphene is investigated within the density-functional theory, using the semiclassical Boltzmann equations and interpolating the bands in a maximally-localized Wannier functions basis set. We compare…

Materials Science · Physics 2015-01-07 Malgorzata Wierzbowska , Adam Dominiak , Giovanni Pizzi