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First-principles study of defects at the SiC/SiO2 interface through hybrid functionals

Publications associées (40)

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Monolayer jacutingaite (Pt2HgSe3) has been recently identified as a candidate quantum spin Hall system with a 0.5 eV band gap, but no transport measurements have been performed so far on this material, neither in monolayer nor in the bulk. By using a dedic ...

IOP PUBLISHING LTD2020

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Poly(triazine imide) (PTI), a crystalline g-C3N4, hosting two-dimensional nanoporous structure with an electron density gap of 0.34 nm, is highly promising for high-temperature hydrogen sieving because of its high chemical and thermal robustness. Currently ...

AMER ASSOC ADVANCEMENT SCIENCE2020

Alignment of energy levels in amorphous oxides and at semiconductor-water interfaces

Zhendong Guo

We conduct a detailed investigation of defects in two representative amorphous oxides: amorphous Al2O3 (am-Al2O3) and TiO2 (am-TiO2), by combining ab initio molecular dynamics (MD) simulations and hybrid functional calculations. Our results indicate that o ...

EPFL2019

Grain boundaries and quantum transport in monolayer MoS2

Kolyo Marinov

The growing research on two-dimensional materials reveals their exceptional physical properties and enormous potential for future applications and investigation of advanced physics phenomena. They represent the ultimate limit in terms of active channel thi ...

EPFL2018

Identification of Semiconductor Defects through Constant-Fermi-Level Ab Initio Molecular Dynamics: Application to GaAs

Alfredo Pasquarello, Assil Bouzid

We show that constant-Fermi-level ab initio molecular dynamics can be used as a computer-based tool to reveal and control relevant defects in semiconductor materials. In this scheme, the Fermi level can be set at any position within the band gap during the ...

Amer Physical Soc2017

Electronics today permeate our life and existence. It has become nearly impossible to evade any dependence on electronic devices that surround us every day - computers, phones, televisions. But also other objects become increasingly "smart" - watches, cars ...

EPFL2016

Charge-transport properties of monolayer MoS2 at the interface with dielectric materials

Simone Bertolazzi

Two-dimensional (2D) semiconductors, consisting of single-sheets of layered transition metal dichalcogenides (TMD), are attracting enormous interest from both fundamental science and technology. Monolayer molybdenum disulfide (MoS2), a typical example from ...

EPFL2015

Large-Area Epitaxial Monolayer MoS2

Nicola Marzari, Anna Fontcuberta i Morral, Philippe Gillet, Aleksandra Radenovic, Andras Kis, Dumitru Dumcenco, Marco Gibertini, Yen-Cheng Kung, Oriol López Sánchez, Dmitry Ovchinnikov, Daria Krasnozhon, Simone Bertolazzi, Ming-Wei Chen, Kolyo Marinov

Two-dimensional semiconductors such as MoS2 are an emerging material family with wide-ranging potential applications in electronics, optoelectronics, and energy harvesting. Large-area growth methods are needed to open the way to applications. Control over ...

Amer Chemical Soc2015

During the past decade, graphene --- a monolayer of carbon atoms --- has attracted enormous interest for its use in nanoelectronic device applications. The absence of bandgap, however, has stalled its use both in logic (inability to turn off) and radio fre ...

EPFL2015

Gallium arsenide is currently under scrutiny for replacing silicon in microelectronic devices due to its high carrier mobilities. However, the widespread use of this semiconductor is hampered by the intrinsic difficulty of producing high-quality interfaces ...

EPFL2015