Calculation of optical properties within the Local Density Approximation to Density Functional Theory: application to palladium

We calculate the optical functions of Pd using the ab initio, all-electron Full Potential Linear Muffin Tin Orbital method within the framework of the Density Functional Theory in the Local Density approximation. We test, in the case of Pd, the convergence of the dielectric function and energy loss function in different energy ranges vs. the completeness of the basis and give a quantitative estimate of the accuracy. The present approach opens the possibility of extending the energy range where the optical functions can be calculated with good accuracy without increasing the computational effort. Received 4 September 2001     

Thienopyrrolyl dione end-capped oligothiophene ambipolar semiconductors for thin film- and light emitting transistors

The design, synthesis and structure-property investigation of a new thienopyrrolyl dione substituted oligothiophene material showing reduced band gap energy, low lying LUMO energy level and ambipolar semiconducting behaviour is described.     

π-Electron manipulation of the 5,6-dihydroxyindole/quinone system by 3-alkynylation: mild acid-mediated entry to (cross)-conjugated scaffolds and paradigms for medium-tunable chromophores

5,6-Dihydroxyindole-based systems engender increasing interest for the design and implementation of new functional aromatic scaffolds and eumelanin-like materials with tailored absorption and electronic properties. However, studies aimed at elucidating the influence of external π-conjugating groups on the redox properties and acid-induced reactivity of these highly oxidizable indolic platforms are lacking. We report herein the synthesis (as acetyl derivatives) and chemical/quantum chemical characterization of the first π-extended 5,6-dihydroxyindole derivatives, 3-ethynyl-5,6-dihydroxyindole (1) and 3,3'-(1,2-ethynediyl)bis-5,6-dihydroxyindole (2), in order to understand whether and how β extension of the enamine-like pyrrole sector affects the absorption properties, redox behavior, and protonation equilibria at both the o-diphenol and quinone levels. Oxidation of 1 and 2 proceeded smoothly to generate dark insoluble materials with eumelanin-like UV properties. On exposure to phosphate buffer at pH 3, 1 was rapidly converted to 3-acetyl-5,6-dihydroxyindole (5) and, in the presence of 5,6-dihydroxyindole, to the cross-conjugated 3,3'-ethenylidenebis-5,6-dihydroxyindole (6). DFT calculations on 1 and 2 and their quinones in their pristine states and after protonation provided a mechanistic frame to rationalize the unusual acid-mediated chemistry of 1 and disclosed 2-quinone as the prototype of a novel class of medium-dependent chromophores. The ethynyl(ene) structural motif is thus proposed as the key to new tunable π-electron extended 5,6-dihydroxyindole/5,6-indolequinone paradigms for the rational design of alkyne-containing hybrid eumelanin-type polymers.     

Organic light‐emitting transistors with voltage‐tunable lit area and full channel illumination

Organic light‐emitting transistors (OLETs) are multifunctional optoelectronic devices that hold great promise for a variety of applications, including flat panel displays, integrated light sources for sensing and optical communication systems. The narrow illumination area within the device channel is considered intrinsic to the device architecture and is a severe technological drawback for all those applications where a controlled, wide and homogeneous emission area is required. Here it is shown that not only the position but also the extension of the emission area is voltage‐tunable, and the entire channel of the transistor can be homogeneously illuminated. The modeling of the exciton distribution within the channel at the different bias conditions coupled to the modeling of the device emission profile highlights that excitons are spread through the entire channel width and across the bulk of the central emission layer of the p‐channel/emitter/n‐channel trilayer active heterostructure.     

Background study and Monte Carlo simulations for large-mass bolometers

Large-mass bolometers are today extensively used for dark matter and double beta decay searches, in both cases the ultimate experimental sensitivity is defined by the background level reached in such devices. The most common background sources and the techniques used for their identification and reduction are here reviewed, with a particular focus on double beta decay searches. The relevant role played by Monte Carlo simulations in this field is discussed. As a real case, the background optimization in the MiDBD experiment is described.     

Search of the neutrino-less double beta decay of $$^{}$$Se into the excited states of $$^{}$$Kr with CUPID-0

The CUPID-0 experiment searches for double beta decay using cryogenic calorimeters with double (heat and light) read-out. The detector, consisting of 24 ZnSe crystals 95\(\%\) enriched in \(^{82}\)Se and two natural ZnSe crystals, started data-taking in 2017 at Laboratori Nazionali del Gran Sasso. We present the search for the neutrino-less double beta decay of \(^{82}\)Se into the 0\(_1^+\), 2\(_1^+\) and 2\(_2^+\) excited states of \(^{82}\)Kr with an exposure of 5.74 kg\(\cdot \)yr (2.24\(\times \)10\(^{25}\) emitters\(\cdot \)yr). We found no evidence of the decays and set the most stringent limits on the widths of these processes: \(\varGamma \)(\(^{82}\)Se \(\rightarrow ^{82}\)Kr\(_{0_1^+}\))8.55\(\times \)10\(^{-24}\) yr\(^{-1}\), \(\varGamma \) (\(^{82}\) Se \(\rightarrow ^{82}\) Kr \(_{2_1^+}\))\(\,{<}\,6.25 \,{\times }\,10^{-24}\) yr\(^{-1}\), \(\varGamma \)(\(^{82}\)Se \(\rightarrow ^{82}\)Kr\(_{2_2^+}\))8.25\(\times \)10\(^{-24}\) yr\(^{-1}\) (90\(\%\) credible interval).     

The CUORICINO 130Te ββ-decay experiment and a new limit on T_{{1 \mathord{\left/ {\vphantom {1 2}} \right. \kern-\nulldelimiterspace} 2}}^{0\nu } (\beta \beta )

The CUORICINO ββ-decay detector is an array of 62 TeO2 bolometers; 44 are 5×5×5-cm crystals made with natural tellurium (33.8% ¹³⁰Te). There are 18, 3×3×6-cm crystals, 14 of which are made of natural tellurium, 2 are isotopically enriched to 75% in ¹³⁰Te, and 2 are enriched to 82.3% in ¹²⁸Te. The total mass of ¹³⁰Te is ～ 11 kg. The background rate is 0.23 ± 0.04 counts/keV/kg/yr in the energy interval 2480 to 2600 keV. During the cooling process, some of the wires became disconnected and only 32 of the large and 16 of the smaller crystals could be read out. The data presented here come from 29 of the 5×5×5-cm crystals containing 6.2 kg of ¹³⁰Te. The new limit on the half-life is $T_{{1 \mathord{\left/ {\vphantom {1 2}} \right. \kern-0em} 2}}^{0\nu } \geqslant 5 \times 10^{23} yr$ , corresponding to an effective Majorana mass of the electron neutrino 〈m _ν〉 between 0.42 and 2.05 eV, depending on the nuclear model used to analyze the data.     

New limit on the neutrinoless betabeta decay of 130Te

We report the present results of CUORICINO, a search for neutrinoless double-beta (0nu betabeta) decay of 130Te. The detector is an array of 62 TeO2 bolometers with a total active mass of 40.7 kg. The array is cooled by a dilution refrigerator shielded from environmental radioactivity and energetic neutrons, operated at approximately 8 mK in the Gran Sasso Underground Laboratory. No evidence for (0nu betabeta) decay was found and a new lower limit, T(1/2)(0nu) > or = 1.8 x 10(24) yr (90% C.L.) is set, corresponding to [m(nu)] < or = 0.2 to 1.1 eV, depending on the theoretical nuclear matrix elements used in the analysis.