Charge self-trapping in two strand biomolecules:Adiabatic polaron approach

We investigate the properties of the excess charge(electron, hole) introduced into a two-strand biomolecule. We consider the possibility that the stable soliton excitation can be formed due to interaction of excess charge with the phonon subsystem. The influence of overlap of the molecular orbitals between adjacent structure elements of the macromolecular chain on the soliton properties is discussed. Special attention is paid to the influence of the overlapping of the molecular orbitals between structure elements placed on the different chains. Using the literature values of the basic energy parameters of the two-chain biomolecular structures, possible types of soliton solutions are discussed.

Efficient energy transfer from self-trapped excitons to Mn^(2+) dopants in CsCdCl_(3):Mn^(2+) perovskite nanocrystals

Mn^(2+)doping has been adopted as an efficient approach to regulating the luminescence properties of halide perovskite nano-crystals(NCs).However,it is still difficult to understand the interplay of Mn^(2+)luminescence and the matrix self-trapped exciton(STE)emission therein.In this study,Mn^(2+)-doped CsCdCl_(3) NCs are prepared by hot injection,in which CsCdCl_(3) is selected because of its unique crystal structure suitable for STE emission.The blue emission at 441 nm of undoped CsCdCl_(3) NCs originates from the defect states in the NCs.Mn^(2+)doping promotes lattice distortion of CsCdCl_(3) and generates bright orange-red light emission at 656 nm.The en-ergy transfer from the STEs of CsCdCl_(3) to the excited levels of the Mn^(2+)ion is confirmed to be a significant factor in achieving efficient luminescence in CsCdCl_(3):Mn^(2+)NCs.This work highlights the crucial role of energy transfer from STEs to Mn^(2+)dopants in Mn^(2+)-doped halide NCs and lays the groundwork for modifying the luminescence of other metal halide perovskite NCs.

Temperature Effects on the Self-trapping Energy of a Polaron in a GaAs Parabolic Quantum Dot

The temperature and the size dependences of the self-trapping energy of a polaron in a GaAs parabolic quantum dot are investigated by the second order Rayleigh-Schrodinger perturbation method using the framework of the effective mass approximation. The numerical results show that the self-trapping energies of polaron in GaAs parabolic quantum dots shrink with the enhancement of temperature and the size of the quantum dot. The results also indicate that the temperature effect becomes obvious in small quantum dots

Cavity-Induced Self-Trapping of a Bose Josephson Junction

We investigate the self-trapping of a Bose Josephson junction, which is dispersively coupled to a driven optical cavity. The cavity-induced nonlinearity is presented analytically, and its effect results in the appearance of the self-trapping for the Bose-Einstein condensates in the Josephson oscillation regime. In addition, there exists competition between the nonlinearities induced by the interatomic interaction and by the driven cavity for the emergences of self-trapping. Our results show that the driven cavity can be utilized as a possible tool to produce the self-trapping for the condensates with weak interatomic interaction.

Localized self-trapping in two-dimensional molecular lattice with interaction between Wannier-Mott excitons and phonon lattice

We investigate the interactions of lattice pbonons with Wannier-Mott exciton, the exciton that has a large radius in two-dimensional molecular lattice, by the method of continuum limit approximation, and obtain that the self-trapping can also appear in two-dimensional molecular lattice with a harmonic and nonlinear potential. The exciton effect on molecular lattice does not distort the molecular lattice but only makes it localized and the localization can also react, again through phonon coupling, to trap the energy and prevents its dispersion.

Localized self-trapping in the two-dimensional discrete molecular lattice with the interaction between Frenkel excitons and phonons

We investigate the interactions of lattice phonons with Frenkel exciton, which has a small radius in a twodimensional discrete molecular lattice, by the virtue of the quasi-discreteness approximation and the method of multiplescale, and obtain that the self-trapping can also appear in the two-dimensional discrete molecular lattice with harmonic and nonlinear potential. The excitons＇ effect on the molecular lattice does not distort it but only causes it to localize which enables it to react again through phonon coupling to trap the energy and prevent its dispersion.

The effect of s-wave scattering length on self-trapping and tunneling phenomena of Fermi gases in one-dimensional accelerating optical lattices

We investigate the tunneling dynamics of the Fermi gases in an optical lattice in the Bose--Einstein condensation （BEC） regime. The three critical scattering lengths and the system energies are found in different cases of Josephson oscillation （JO）, oscillating-phase-type self-trapping （OPTST）, running-phase-type self-trapping （RPTST）, and self-trapping （ST）. It is found that the s-wave scattering lengths have a crucial role on the tunneling dynamics. By adjusting the scattering length in the adiabatic condition, the transition probability changes with the adiabatic periodicity and a rectangular periodic pattern emerges. The periodicity of the rectangular wave depends on the system parameters such as the periodicity of the adjustable parameter, the s-wave scattering length.

3-4 First-principles Investigation Self-trapping of Helium in Tungsten

The tungsten are deemed to be the most promising candidates as plasma facing material due to its high melting temperature, good thermal properties, low sputtering yields[1]. In the near surface of plasma facing materials high densities of interstitials and vacancies are produced in addition to high concentrations of hydrogen and helium (He). He easily are trapped by vacancies, dislocations, grain boundaries to form He bubble nucleation. When no traps are available, He spontaneously form clusters, which result in strong lattice strain. It can be relieved by ejecting one or more matrix atoms to form one or more Frenkel Pairs, i:e:vacancies and self-interstitial atoms. He cluster will be trapped by the vacancy it created, this is a self-trapping event[2].

Light-emitting diodes based on all-inorganic copper halide perovskite with self-trapped excitons

Light-emitting diodes based on lead halide perovskite have attracted great attention due to their outstanding performance.However,their application is plagued by the toxicity of Pb and the poor stability.Herein novel copper-based all inorganic perovskite CsCu2I3 with much enhanced stability has been reported with a potential photoluminescence quantum yield(PLQY)over 20%and self-trapped excitons(STE).By taking advantage of its extraordinary thermal stability,we successfully fabricate high-quality CsCu2I3 film through direct vacuum-based deposition(VBD)of CsCu2I3 powder.The resulting film shows almost the same PLQY with the synthesized powder,as well as excellent uniformity and stability.The perovskite light-emitting diodes(Pe-LED)based on the evaporated CsCu2I3 emitting layer achieve a luminescence of 10 cd/m2 and an external quantum efficiency(EQE)of 0.02%.To the best of our knowledge,this is the first CsCu2I3 Pe-LED fabricated by VBD with STE property,which offers a new avenue for lead-free Pe-LED.

Achieving Tunable Cold/Warm White‑Light Emission in a Single Perovskite Material with Near‑Unity Photoluminescence Quantum Yield

Single materials that exhibit efficient and stable white-light emission are highly desirable for lighting applications.This paper reports a novel zero-dimensional perovskite,Rb_(4)CdCl_(6):Sn^(2+),Mn^(2+),which demonstrates exceptional white-light properties including adjustable correlated color temperature,high color rendering index of up to 85,and near-unity photoluminescence quantum yield of 99%.Using a co-doping strategy involving Sn^(2+)and Mn^(2+),cyan-orange dual-band emission with complementary spectral ranges is activated by the self-trapped excitons and d-d transitions of the Sn^(2+)and Mn^(2+)centers in the Rb_(4)CdCl_(6)host,respectively.Intriguingly,although Mn^(2+)ions doped in Rb_(4)CdCl_(6)are difficult to excite,efficient Mn^(2+)emission can be realized through an ultra-high-efficient energy transfer between Sn^(2+)and Mn^(2+)via the formation of adjacent exchange-coupled Sn–Mn pairs.Benefiting from this efficient Dexter energy transfer process,the dual emission shares the same optimal excitation wavelengths of the Sn^(2+)centers and suppresses the non-radiative vibration relaxation significantly.Moreover,the relative intensities of the dual-emission components can be modulated flexibly by adjusting the fraction of the Sn^(2+)ions to the Sn–Mn pairs.This co-doping approach involving short-range energy transfer represents a promising avenue for achieving high-quality white light within a single material.

Temperature-dependent self-trapped exciton emission in Cu(I) doped zinc-based metal halides from well-resolved excited state structures

Zero-dimensional metal halides are of unique structures and tunable photoluminescence properties,showing great potential applications such as light-emitting diodes(LEDs)and sensing.Herein,we successfully synthesized Cu^(+)doped(MA)_(2)ZnCl_(4)metal halides by a slow evaporation solvent method.The introduction of Cu^(+)results in sky-blue self-trapped exciton emission in(MA)_(2)ZnCl_(4) at 486 nm at room temperature,and a photoluminescence quantum yield is as high as 54.9%.Interestingly,at low temperatures,Cu^(+)-doped(MA)_(2)ZnCl_(4) exhibits two emission peaks located at 482 and 605 nm,respectively.This temperaturedependent dual emission indicates two excited state structures that exist on the triplet excited-state potential energy surface.In addition,the temperature sensor we fitted has good performance(Sr=1.65%·K^(−1)),which is the first attempt in Cu^(+) doped Znbased metal halides.Our work enriches the family of sky-blue metal halides and provides a promising strategy for building skyblue LEDs.

Doping suppresses lattice distortion of vacant quadruple perovskites to activate self-trapped excitons emission

The vacancy-ordered quadruple perovskite Cs_(4)CdBi_(2)Cl_(12),as a newly-emerging lead-free perovskite system,has attracted great research interest due to its excellent stability and direct band gap.However,the poor luminescence performance limits its application in light-emitting diodes(LEDs)and other fields.Herein,for the first time,an Ag^(+)ion doping strategy was proposed to greatly improve the emission performance of Cs_(4)CdBi_(2)Cl_(12) synthesized by hydrothermal method.Density functional theory calculations combined with experimental results evidence that the weak orange emission from Cs_(4)CdBi_(2)Cl_(12) is attributed to the phonon scattering and energy level crossing due to the large lattice distortion under excited states.Fortunately,Ag^(+)ion doping breaks the intrinsic crystal field environment of Cs_(4)CdBi_(2)Cl_(12),suppresses the crossover between ground and excited states,and reduces the energy loss in the form of nonradiative recombination.At a critical doping amount of 0.8%,the emission intensity of Cs_(4)CdBi_(2)Cl_(12):Ag^(+)reaches the maximum,about eight times that of the pristine sample.Moreover,the doped Cs_(4)CdBi_(2)Cl_(12) still maintains excellent stability against heat,ultraviolet irradiation,and environmental oxygen/moisture.The above advantages make it possible for this material to be used as solid-state phosphors for white LEDs applications,and the Commission International de I’Eclairage color coordinates of(0.31,0.34)and high color rendering index of 90.6 were achieved.More importantly,the white LED demonstrates remarkable operation stability in air ambient,showing almost no emission decay after a long working time for 48 h.We believe that this study puts forward an effective ion-doping strategy for emission enhancement of vacancy-ordered quadruple perovskite Cs_(4)CdBi_(2)Cl_(12),highlighting its great potential as efficient emitter compatible for practical applications.

Light emission from multiple self-trapped excitons in one-dimensional Ag-based ternary halides

Ternary metal halides based on Cu(I)and Ag(I)have attracted intensive attention in optoelectronic applications due to their excellent luminescent properties,low toxicity,and robust stability.While the self-trapped excitons(STEs)emission mechanisms of Cu(I)halides are well understood,the STEs in Ag(I)halides remain less thoroughly explored.This study explores the STE emission efficiency within the A_(2)AgX_(3)(A=Rb,Cs;X=Cl,Br,I)system by identifying three distinct STE states in each material and calculating their configuration coordinate diagrams.We find that the STE emission efficiency in this system is mainly determined by STE stability and influenced by self-trapping and quenching barriers.Moreover,we investigate the impact of structural compactness on emission efficiency and find that the excessive electron–phonon coupling in this system can be reduced by increasing the structural compactness.The atomic packing factor is identified as a low-cost and effective descriptor for predicting STE emission efficiency in both Cs_(2)AgX_(3) and Rb_(2)AgX_(3) systems.These findings can deepen our understanding of STE behavior in metal halide materials and offer valuable insights for the design of efficient STE luminescent materials.The datasets presented in this paper are openly available in Science Data Bank at https://doi.org/10.57760/sciencedb.12094.

Bismuth doped lead-free two-dimensional tin based halide perovskite single crystals

Heterovalent-metal doping is an efficient tool to tune the optoelectronic properties of the famous halide perovskites.Previous studies have focused on the heterovalent-doping in three-dimensional(3D) halide perovskites.However, there is a lack of such doping in two-dimensional perovskites which possess unique optoelectronic properties and improved chemical stability as compared to 3D analogues.Here, we present successful doping of Bismuth into the lattice of lead-free, two-dimensional perovskite PEA2SnBr4 single crystals.Structural characterizations demonstrate that the doped crystals possess identical crystal structure and layered morphology with the pristine one.Intriguingly, we find the PL peak and spectral shape can be tailored by tuning the concentration of Bi dopants.Femtosecond transient absorption spectroscopy is performed to understand the underlying mechanism related to tunable PL behaviors, and a clear picture of the Bismuth-doping impact is provided.

Recent progress of the optoelectronic properties of 2D Ruddlesden-Popper perovskites

Two-dimensional(2 D) hybrid organic-inorganic perovskites have recently attracted attention due to their layered nature, naturally formed quantum well structure, large exciton binding energy and especially better long-term environmental stability compared with their three-dimensional(3 D) counterparts. In this report, we present a brief overview of the recent progress of the optoelectronic applications in 2 D perovskites. The layer number dependent physical properties of 2 D perovskites will first be introduced and then the different synthetic approaches to achieve 2 D perovskites with different morphologies will be discussed. The optical, optoelectronic properties and self-trapped states in 2 D perovskites will be described, which are indispensable for designing the new device structures with novel functionalities and improving the device performance. Subsequently, a brief summary of the advantages and the current research status of the 2 D perovskite-based heterostructures will be illustrated.Finally, a perspective of 2 D perovskite materials is given toward their material synthesis and novel device applications.

Self-trapping and oscillation of quadruple beams in high band gap of 2D photonic lattices

through single-site excitation. By changing the initial to the lattices, periodic oscillations of the localized quadruple state becomes a rotating doubly charged undergo charge-flipping when the rotating direction is orientation of the incident quadruple beam related quadruple mode may be obtained. The localized optical vortex （DCV） during rotation and should reversed.

Impurity-induced localization of Bose-Einstein condensates in one-dimensional optical lattices

The impurity-induced localization of two-component Bose-Einstein condensates loaded into deep one-dimensional optical lattices is studied both analytically and numerically. It is shown that, the analytical criteria for self-trapping and moving soliton/breather of the primary-component condensate are modified significantly by an admixture of an impurity component （the second component）. The realization of the self-trapped state and the moving soliton/breather states of the primary-component becomes more easy with the minor admixture of the impurity-component, even if the two components are partly overlapped.

Lead-free molecular one-dimensional perovskite for efficient X-ray detection

In recent years,great progress has been achieved for organicinorganic halide perovskites due to their excellent optoelectronic properties and stability for photovoltaics,light emitting diodes,and high-energy radiation detection[1-5].One-dimensional(1D)perovskites,as an important derivative of three-dimensional(3D)perovskites,exhibit low exciton dissociation efficiency,which can produce strong quantum confinement and form self-trapping excited state[6],In addition,the hydrophobic properties and the inhibition of ion migration from large organic cations improve the moisture and thermal stability for optoelectronic devices.

Self-trapping and Macroscopic Tunnelling of Superfluid Fermi Gases in Multi-well Potentials

We study the tunnelling dynamics of superfluid Fermi gases trapped in multi-well system along the BEC-BCS crossover. Within the hydrodynamical model and by using the multi-mode approximation, the self-trapping dynamics of superfluid Fermi gases in multi-well system are obtained numerically. We find that the self-trapping to diffusion transition strongly depends on the well number. When the well number is less than three, the self-trapped state takes place easier on the BEC side than that on the BCS side. However, when the well number is larger than three, the self-trapped state takes place easier on the BCS side instead of the BEC side. Furthermore, by considering a superfluid of 40K atoms, we obtain the zero-mode and π-mode Josephson frequencies of coherent atomic oscillations in double-well system. It is noteworthy that the Josephson mode, especially, the existence of π-mode frequency strongly depends on the atoms number on the BCS side.

Influence of a Magnetic Guide Field on Injection in Wakefield Acceleration

The influence of an external static field applied in the direction parallel to the direction of propagation of a high intensity driving laser pulse on the electron trapping in laser wakefield acceleration is explored.