Search results for "Quantum"
showing 10 items of 9714 documents
On the intrinsic population of the lowest triplet state of uracil
2007
Abstract From CASPT2//CASSCF quantum-chemical computations it is determined that the lowest triplet state of uracil can be efficiently populated from the initially activated singlet manifold through respective singlet–triplet crossings of the singlet state with the low-lying 3nπ∗ state at 4.6 eV and with the lowest 3ππ∗ state at 4.2 eV located along the minimum energy path of the low-lying 1ππ∗ state. Large spin–orbit coupling elements predict, in particular for the former case, efficient intersystem crossing processes. The wavelength dependence measured for the triplet quantum yield can be explained by the location of the singlet–triplet crossing regions.
Origin of the large spectral shift in electroluminescence in a blue light emitting cationic iridium(III) complex
2007
A new, but archetypal compound [ Ir( ppy- F-2) (2)Me(4)phen] PF6, where ppy- F2 is 2-(2',4'- fluorophenyl) pyridine and Me(4)phen is 3,4,7,8- tetramethyl- 1,10- phenanthroline, was synthesized and used to prepare a solid-state light-emitting electrochemical cell (LEEC). This complex emits blue light with a maximum at 476 nm when photoexcited in a thin film, with a photoluminescence quantum yield of 52%. It yields an efficient single-component solid-state electroluminescence device with a current efficiency reaching 5.5 cd A(-1) and a maximum power efficiency of 5.8 Lm Watt(-1). However, the electroluminescence spectrum is shifted with respect to the photoluminescence spectrum by 80 nm resul…
Ab initio calculations of CaZrO3 (011) surfaces: systematic trends in polar (011) surface calculations of ABO3 perovskites
2019
Financial support via Latvian-Ukrainian Joint Research Project No. LV-UA/2018/2 for A. I. Popov, Latvian Council of Science Project No. 2018/2-0083 “Theoretical prediction of hybrid nanostructured photocatalytic materials for efficient water splitting” for R. I. Eglitis and J. Kleperis as well as ERAF project No. 1.1.1.1/18/A/073 for R. I. Eglitis and J. Purans is greatly acknowledged.
Electronic and magnetic structure ofLa0.875Sr0.125MnO3calculated by means of hybrid density-functional theory
2007
We present the results of ab initio calculations on magnetic and electronic structures of La1�xSrxMnO3 at low doping, x =1/8. Using the B3LYP hybrid exchange-correlation functional within the framework of densityfunctional theory, we predict a ferromagnetic ground state for La0.875Sr0.125MnO3 in both the low-temperature orthorhombic and the high-temperature pseudocubic phases. This is in contrast to its parent compound LaMnO3, for which we find in agreement with experiment the layered antiferromagnetic state to be the most stable one. The calculated density of states and bond population analysis suggest a tendency of formation of half-metallic spin states in the band gap of both structures.
Ab initio calculations of Nb doped SrTiO3
2010
We present and discuss the results of the large scale Hartree–Fock calculations of Nb impurities substituting for Ti ions in SrTiO3 using ab initio computer code CRYSTAL and several supercells containing up to 135 atoms. The local structure optimisation, the electronic charge redistribution, chemical bond covalence and the band-structure changes induced by the defect are analysed. According to the results of our calculations, Nb is a shallow donor; six nearest O ions are slightly displaced outwards from the Nb ion. The calculated bond population between nearest Ti and O ions (64 me) is much larger than that between Nb and O ions (8 me), since Nb impurity is more ionic than the host Ti.
Two‐Dimensional Electron Gas Effects on the Photoluminescence from a Nonintentionally Doped AlGaN/GaN Heterojunction
2002
Photoluminescence measurements on an AlGaN/GaN single heterojunction (SH), where piezoelectric and spontaneous polarization effects confine a two-dimensional electron gas (2DEG), are presented. Well-defined emissions between the bulk excitonic transitions and their LO-phonon replica are attributed to spatially indirect excitons located close to the interface. The strong interfacial electric field separates photogenerated holes and electrons, weakening their Coulomb interaction and causing a blueshift with increasing excitation intensity due to carrier population effects. In addition, direct experimental proof is obtained by applying an electric field normal to the interface. An energy shift…
Photoblinking and photobleaching of rylene diimide dyes.
2010
We investigate photoblinking and photobleaching of perylene diimide (PDI) and its higher homologue terrylene diimide (TDI). Single molecule fluorescence trajectories of the dye molecules embedded in PMMA under ambient conditions exhibit "on"-"off" blinking in the time range from ms to s. Due to the limited statistics of individual trajectories we construct ensemble distributions of "on" and "off" times which follow power laws with similar power law coefficients (m(on) ≈ 1.18, m(off) ≈ 1.31). The blinking is attributed to reversible formation of radical cations which are presumably created by electron transfer from higher excited triplet states T(n) of the molecules to acceptor levels in the…
Comparison of non-Markovianity criteria in a qubit system under random external fields
2013
We give the map representing the evolution of a qubit under the action of non-dissipative random external fields. From this map we construct the corresponding master equation that in turn allows us to phenomenologically introduce population damping of the qubit system. We then compare, in this system, the time-regions when non-Markovianity is present on the basis of different criteria both for the non-dissipative and dissipative case. We show that the adopted criteria agree both in the non-dissipative case and in the presence of population damping.
Relaxion fluctuations (self-stopping relaxion) and overview of relaxion stopping mechanisms
2020
Journal of high energy physics 2005(5), 80 (2020). doi:10.1007/JHEP05(2020)080
Enhancing Optomechanical Coupling via the Josephson Effect
2013
Cavity optomechanics is showing promise for studying quantum mechanics in large systems. However, smallness of the radiation-pressure coupling is a serious hindrance. Here we show how the charge tuning of the Josephson inductance in a single-Cooper-pair transistor (SCPT) can be exploited to arrange a strong radiation pressure -type coupling $g_0$ between mechanical and microwave resonators. In a certain limit of parameters, such a coupling can also be seen as a qubit-mediated coupling of two resonators. We show that this scheme allows reaching extremely high $g_0$. Contrary to the recent proposals for exploiting the non-linearity of a large radiation pressure coupling, the main non-linearit…