Related papers: Negative-U properties for substitutional Au in Si
We consider iron impurities in the noble metals gold and silver and compare experimental data for the resistivity and decoherence rate to numerical renormalization group results. By exploiting non-Abelian symmetries we show improved…
The non-linear (electric field-dependent) resistivity of the 2D electron system in silicon exhibits scaling as a function of electric field and electron density in both the metallic and insulating phases, providing further evidence for a…
Nonequilibrium processes in semiconductors are considered with highly nonuniform initial densities of charge carriers. It is shown that there exist such distributions of charge densities under which the electric current through a sample…
The negatively-charged silicon vacancy center ($\rm V_{Si}^-$) in silicon carbide (SiC) is an emerging color center for quantum technology covering quantum sensing, communication, and computing. Yet, limited information currently available…
We present a first-principles study of a carbon-nitrogen (CN) impurity complex in silicon as an isoelectronic alternative to the T center [(CCH)$_\mathrm{Si}$]. The latter has been pursued for applications in quantum information science,…
Progress in the emerging field of engineered quantum systems requires the development of devices that can act as quantum memories. The realisation of such devices by doping solid state cavities with paramagnetic ions imposes a trade-off…
We demonstrate on the basis of ab initio simulations how passivated semiconductor surfaces can be exploited to study bulklike interaction properties and wave functions of magnetic impurities on the atomic scale with conventional and…
Color centers in the O-band (1260-1360 nm) are critical for realizing long-coherence quantum network nodes in memory-assisted quantum communications. However, only a limited number of O-band color centers have been explored in silicon hosts…
The neutral silicon--vacancy (SiV$^{0}$) center in diamond combines inversion symmetry with optical emission, making it a robust quantum emitter resilient to stray electric fields. Using first-principles density-functional theory, we…
We demonstrate optical spin polarization of the neutrally-charged silicon-vacancy defect in diamond ($\mathrm{SiV^{0}}$), an $S=1$ defect which emits with a zero-phonon line at 946 nm. The spin polarization is found to be most efficient…
Attractive negative-$U$ interactions between electrons facilitated by strong electron-phonon interaction are common in highly polarizable and disordered materials such as amorphous chalcogenides, but there is no direct evidence for them in…
Semiconductors offer a promising platform for physical implementation of qubits, but their broad adoption is presently hindered by limited scalability and/or very low operating temperatures. Learning from the nitrogen-vacancy centers in…
First-principles density-functional theory calculations were carried out to assess how incremental unit-cell charging alters the electronic behavior of SLSiN (single-layer Si$_3$N$_4$). The net charge per cell was systematically tuned from…
The problem of the survival of superconductivity in a small super-conducting grain placed in a metal substrate is addressed. For this aim the pair correlations and super-conducting gap around and inside a negative-U impurity in one and two…
Color centers in diamond are at the forefront of the second quantum revolution. A handful of defects are in use, and finding ones with all the desired properties for quantum applications is arduous. By using high-throughput calculations, we…
Hybrid functional calculations reveal the Zn-O divacancy in ZnO, consisting of adjacent Zn and O vacancies, as an electrically active defect exhibiting charge states ranging from $2+$ to $2-$ within the band gap. Notably, the divacancy…
In the present work, the atomic and the electronic structures of Au3N, AuN and AuN2 are investigated using first-principles density-functional theory (DFT). We studied cohesive energy vs. volume data for a wide range of possible structures…
We study ferromagnetic transition in three-dimensional double-exchange model containing impurities. The influence of both spin fluctuations and impurity potential on conduction electrons is described in coherent potential approximation. In…
Point defects in Ga- and Al-doped ZnO thin films are studied by means of first principles electronic structure calculations. Candidate defects are identified to explain recently observed differences in electrical and spectroscopical…
Vacancy centers in diamond have proven to be a viable solid-state platform for quantum coherent opto-electronic applications. Among the variety of vacancy centers, silicon-vacancy (SiV) centers have recently attracted much attention as an…