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It is demonstrated that a {\veck}-dependence of the hybridization matrix element between $f$- and conduction electrons can give rise to an anisotropic hybridization gap of heavy fermions if the filling of electrons corresponds to that of…

Condensed Matter · Physics 2009-10-28 Hiroaki Ikeda , Kazumasa Miyake

We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbitals as a basis set for the electronic states. The (harmonic)…

Materials Science · Physics 2007-05-23 J. M. Pruneda , S. K. Estreicher , J. Junquera , J. Ferrer , P. Ordejon

Surface-states of topological insulators are assumed to be robust against non-magnetic defects in the crystal. However, recent theoretical models and experiments indicate that even non-magnetic defects can perturb these states. Our…

Materials Science · Physics 2022-07-25 Sharmila N. Shirodkar , Pratibha Dev

In this paper we carried out theoretical study of the general issues related to the efficiency of SiC:H/a-Si:H single- and multi-junction tandem solar cells. Implementation of numerical simulations by the use of AMPS-1D program of…

Instrumentation and Detectors · Physics 2016-01-25 Khikmat Kh. Muminov , Ashrafalsadat S. Mirkamali

This work studies the effect of four different types of buffer layers on the structural and optical properties of InGaN layers grown on Si(111) substrates and their correlation with electrical characteristics. The vertical electrical…

The buffer carbon layer obtained in the first instance by evaporation of Si from the Si-rich surfaces of silicon carbide (SiC) is often studied only as the intermediate to the synthesis of SiC supported graphene. In this work, we explore…

Mesoscale and Nanoscale Physics · Physics 2018-07-31 Tommaso Cavallucci , Valentina Tozzini

Quantum technologies based on quantum point defects in crystals require control over the defect charge state. Here we tune the charge state of shallow nitrogen-vacancy and silicon-vacancy centers by locally oxidizing a hydrogenated surface…

The term defect tolerance is widely used in literature to describe materials such as lead-halides which exhibit long non-radiative lifetimes of carriers despite possessing a large concentration of point defects. Studies on defect tolerance…

Materials Science · Physics 2021-12-08 Basita Das , Zhifa Liu , Irene Aguilera , Uwe Rau , Thomas Kirchartz

We compare the charge transport characteristics of heavy doped p- and n-Si-alkyl chain/Hg junctions. Photoelectron spectroscopy (UPS, IPES and XPS) results for the molecule-Si band alignment at equilibrium show the Fermi level to LUMO…

The downscaling of silicon-based structures and proto-devices has now reached the single atom scale, representing an important milestone for the development of a silicon-based quantum computer. One especially notable platform for atomic…

The negatively charged silicon vacancy ($\mathrm{V_{Si}^-}$) in silicon carbide is a well-studied point defect for quantum applications. At the same time, a closer inspection of ensemble photoluminescence and electron paramagnetic resonance…

We present a computational study of the electronic properties of amorphous SiO2. The ionic configurations used are the ones generated by an earlier molecular dynamics simulations in which the system was cooled with different cooling rates…

Disordered Systems and Neural Networks · Physics 2009-10-30 Thorsten Koslowski , Walter Kob , Katharina Vollmayr

Great achievements in last five years, such as record-efficient amorphous/crystalline silicon heterojunction (SHJ) solar cells and cutting-edge perovskite/SHJ tandem solar cells, place hydrogenated amorphous silicon (a-Si:H) at the…

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…

We investigate the dynamical conductivity in multiply-degenerate point-nodal semimetal CoSi. In the semimetal, the band structure holds point nodes at the $\Gamma$ and R points in the Brillouin zone and more than three bands touch at the…

Mesoscale and Nanoscale Physics · Physics 2019-12-20 Tetsuro Habe

The existence of passivating layers at the interfaces is a major factor enabling modern lithium-ion (Li-ion) batteries. Their properties determine the cycle life, performance, and safety of batteries. A special case is the solid electrolyte…

Chemical Physics · Physics 2021-06-07 Zeeshan Ahmad , Victor Venturi , Hasnain Hafiz , Venkatasubramanian Viswanathan

Here, we report the first experimental demonstration of InN nanowire solar cells deposited by RF sputtering with a bandgap energy of 1.78 eV. By adding an amorphous Si (a-Si) buffer to the n-InN/p-Si structure, we have improved the…

Applied Physics · Physics 2025-11-24 M. Sun , R. Gómez , B. Damilano , J. M. Asensi , F. B. Naranjo , S. Valdueza-Felip

In this article, we investigate the effect of prolonged light exposure on silicon heterojunction solar cells. We show that, although light exposure systematicallyimproves solar cell efficiency in the case of devices using intrinsic and…

We present a comprehensive study of the vacancy in bulk silicon in all its charge states from 2+ to 2-, using a supercell approach within plane-wave density-functional theory, and systematically quantify the various contributions to the…

Materials Science · Physics 2015-03-17 Fabiano Corsetti , Arash A. Mostofi
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