Hybrid-DFT+Vw_w method for accurate band structure of correlated transition metal compounds: the case of cerium dioxide

Hybrid functionals' non-local exchange-correlation potential contains a derivative discontinuity that improves on standard semi-local density functional theory (DFT) band gaps. Moreover, by careful parameterization, hybrid functionals can provide self-interaction reduced description of selected states. On the other hand, the uniform description of all the electronic states of a given system is a know drawback of these functionals that causes varying accuracy in the description of states with different degrees of localization. This limitation can be remedied by the orbital dependent exact exchange extension of hybrid functionals; the hybrid-DFT+V$_w$ method [V. Iv{\'a}dy, et al., Phys. Rev. B 90, 035146 (2014)]. Based on the analogy of quasi-particle equations and hybrid-DFT single particle equations, here we demonstrate that parameters of hybrid-DFT+V$_w$ functional can be determined from approximate quasi-particle spectra. The proposed technique leads to a reduction of self-interaction and provides improved description for both $s$ / $p$ and $d$ / $f$-electrons of the simulated system. The performance of our charge self-consistent method is illustrated on the electronic structure calculation of cerium dioxide where good agreement with both quasi-particle and experimental spectra is achieved

Polarization mode dispersion in radio-frequency interferometric embedded fiber-optic sensors

The effect of fiber birefringence on the propagation delay in an embedded fiber-optic strain sensor is studied. The polarization characteristics of the sensor are described in terms of polarization mode dispersion through the principal states of polarization and their differential group delay. Using these descriptors, an analytical expression for the response of the sensor for an arbitrary input state of polarization is given and experimentally verified. It is found that the differential group delay, as well as the input and output principal states of polarization, vary when the embedded fiber is strained, leading to fluctuations in the sensor output. The use of high birefringence fibers and different embedding geometries is examined as a means for reducing the polarization dependency of the sensor

Identification of Si-vacancy related room temperature qubits in 4H silicon carbide

Identification of microscopic configuration of point defects acting as quantum bits is a key step in the advance of quantum information processing and sensing. Among the numerous candidates, silicon vacancy related centers in silicon carbide (SiC) have shown remarkable properties owing to their particular spin-3/2 ground and excited states. Although, these centers were observed decades ago, still two competing models, the isolated negatively charged silicon vacancy and the complex of negatively charged silicon vacancy and neutral carbon vacancy [Phys. Rev. Lett.\ \textbf{115}, 247602 (2015)] are argued as an origin. By means of high precision first principles calculations and high resolution electron spin resonance measurements, we here unambiguously identify the Si-vacancy related qubits in hexagonal SiC as isolated negatively charged silicon vacancies. Moreover, we identify the Si-vacancy qubit configurations that provide room temperature optical readout.Comment: 3 figure

Carbon antisite clusters in SiC: a possible pathway to the D_{II} center

The photoluminescence center D_{II} is a persistent intrinsic defect which is common in all SiC polytypes. Its fingerprints are the characteristic phonon replicas in luminescence spectra. We perform ab-initio calculations of vibrational spectra for various defect complexes and find that carbon antisite clusters exhibit vibrational modes in the frequency range of the D_{II} spectrum. The clusters possess very high binding energies which guarantee their thermal stability--a known feature of the D_{II} center. The di-carbon antisite (C_{2})_{Si} (two carbon atoms sharing a silicon site) is an important building block of these clusters.Comment: RevTeX 4, 6 pages, 3 figures Changes in version 2: Section headings, footnote included in text, vibrational data now given for neutral split-interstitial, extended discussion of the [(C_2)_Si]_2 defect incl. figure Changes version 3: Correction of binding energy for 3rd and 4th carbon atom at antisite; correction of typo

Dark states of single NV centers in diamond unraveled by single shot NMR

The nitrogen-vacancy (NV) center in diamond is supposed to be a building block for quantum computing and nanometer scale metrology at ambient conditions. Therefore, precise knowledge of its quantum states is crucial. Here, we experimentally show that under usual operating conditions the NV exists in an equilibrium of two charge states (70% in the expected negative (NV-) and 30% in the neutral one (NV0)). Projective quantum non-demolition measurement of the nitrogen nuclear spin enables the detection even of the additional, optically inactive state. The nuclear spin can be coherently driven also in NV0 (T1 ~ 90 ms and T2 ~ 6 micro-s).Comment: 4 pages, 3 figure

Numerical study of SQUID array responses due to asymmetric junction parameters

Superconducting quantum interference device arrays have been extensively studied for their high magnetic field sensitivity. The performance of these devices strongly depends on the characteristic parameters of their Josephson junctions, i.e. their critical currents and shunt resistances. Using a resistively shunted junction model and including thermal noise, we perform a numerical investigation of the effects of asymmetric Josephson junctions by independently studying variations in the critical currents and junction resistances. We compare the voltage response of a dc-SQUID with a 1D parallel SQUID array and study the maximum transfer function dependence on the number of junctions in parallel, the screening parameter and thermal noise strength. Our results show that the maximum transfer function and linearity increase with the number of junctions in parallel for arrays with different junction resistances, in contrast to SQUID arrays with identical junctions or with spreads in the critical currents