相关论文: Toward III-V/Si co-integration by controlling biat…

Here, we compare the stabilities of different III-V crystals configurations on stepped Si substrates, with or without anti-phase boundaries, for abrupt and compensated interfaces, using density functional theory. Thermodynamic stability of…

Molecular dynamics simulations using a Gaussian Approximation Potential (GAP) reveal a stress triaxiality driven, two-step Si-I (diamond cubic) to Si-V (simple hexagonal) phase transition pathway in a spherical Si nanoparticle with a 10 nm…

Using density functional theory (DFT) we report results for the electronic structure and vibrational dynamics of hydrogenated {\beta} reconstructed Silicon Carbide (001) (3x2) surfaces with various levels of hydrogenation. These results…

Here, we experimentally and theoretically clarify III-V/Si crystal growth processes. Atomically-resolved microscopy shows that mono-domain 3D islands are observed at the early stages of AlSb, AlN and GaP epitaxy on Si, independently of…

The direct growth of III-V semiconductors on silicon holds tremendous potential for photonics applications. However, the inherent differences in their properties lead to defects in the epitaxial layer, including threading dislocations…

Optically active III-V group semiconductor quantum dots (QDs) are the leading element of the upcoming safe quantum communication. However, the entire electronic and IT infrastructure relies on silicon-based devices, with silicon also…

Hydrogenation of amorphous silicon (a-Si:H) is critical for reducing defect densities, passivating mid-gap states and surfaces, and improving photoconductivity in silicon-based electro-optical devices. Modelling the atomic scale structure…

The integration of ferroelectrics that exhibit high dielectric, piezoelectric, and thermal susceptibilities with the mainstream semiconductor industry will enable novel device types for widespread applications, and yet there are few…

The heterogeneous integration of silicon with III-V materials provides a way to overcome silicon's limited optical properties toward a broad range of photonic applications. Hybrid modes are a promising way to make heterogeneous Si/III-V…

The development of compact, energy-efficient integrated lasers operating at 1.3 um remains a critical focus in silicon photonics, essential for advancing data communications and optical interconnect technologies. This paper presents a…

Relaxed atomic geometries and chemisorption energies have been calculated for the dissociative adsorption of molecular hydrogen on vicinal Si(001) surfaces. We employ density-functional theory, together with a pseudopotential for Si, and…

GaP/Si(100) is considered as pseudomporphic virtual substrate for III/V-on-Si integration in order to reduce defects related to polar-on-nonpolar heteroepitaxy. The atomic structure of the GaP/Si(100) heterointerface is decisive to yield…

Employing density functional theory calculations we explore initial stage of competitive alloying of co-deposited silver and indium atoms into a silicon surface. Particularly, we identify respective adsorption positions and activation…

The ability to precisely control the electronic coupling/decoupling of adsorbates from surfaces is an essential goal. It isimportant for fundamental studies not only in surface science but alsoin several applied domains including, for…

Stepped well-ordered semiconductor surfaces are important as nanotemplates for the fabrication of one-dimensional nanostructures which are candidates of intriguing electronic properties. Therefore a detailed understanding of the underlying…

A tandem GaAsP/SiGe solar cell has been developed employing group-IV reverse buffer layers grown on silicon substrates with a subsurface porous layer. Reverse buffer layers facilitate a reduction in the threading dislocation density with…

Scalability and performance of current flash memories can be improved substantially by replacing the floating poly-Si gate by a layer of Si dots. This multi-dot layer can be fabricated CMOS-compatibly in very thin gate oxide by ion beam…

Density functional theory calculations for the electronic structures of the 4H-SiC(0001)/SiO$_2$ interface with atomic-scale steps are carried out to investigate the effect of NO annealing. The characteristic behavior of the conduction band…

The structural and electronic properties of amorphous silicon ($a$-Si) are investigated by first-principles calculations based on the density-functional theory (DFT), focusing on the intrinsic structural defects. By simulated melting and…

Integrating atomic quantum memories based on color centers in diamond with on-chip photonic devices would enable entanglement distribution over long distances. However, efforts towards integration have been challenging because color centers…