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.

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

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].

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.

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.

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.

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.

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.

Acoustic Polaron in Free-Standing Slabs

The ground-state energy and its derivate of the acoustic polaron in free-standing slab are calculated by using the Huybrechts-like variational approach. The criteria for presence of the selftrapping transition of the acoustic polaron in free-standing slabs are determined qualitatively. The critical coupling constant for the discontinuous transition from a quasi-free state to a trapped state of the acoustic polaron in free-standing slabs tends to shift toward the weaker electronphonon coupling with the increasing cutoff wave-vector. Detailed numerical results confirm that the self-trapping transition of holes is expected to occur in the free-standing slabs of wide-bandgap semi-conductors.

Atomic population oscillations between two coupled Bose-Einstein condensates with time-dependent nonlinear interaction

The atomic population oscillations between two Bose-Einstein condensates with time-dependent nonlinear interaction in a double-well potential are studied. We first analyse the stabilities of the system＇s steady-state solutions. And then in the perturbative regime, the Melnikov chaotic oscillation of atomic population imbalance is investigated and the Melnikov chaotic criterion is obtained. When the system is out of the perturbative regime, numerical calculations reveal that regulating the nonlinear parameter can lead the system to step into chaos via period doubling bifurcations. It is also numerically found that adjusting the nonlinear parameter and asymmetric trap potential can result in the running-phase macroscopic quantum self-trapping （MQST）. In the presence of a weak asymmetric trap potential, there exists the parametric resonance in the system.

Electron Auto-Localization Tailored by Its Thermal Energy: Dynamic Matrix Approach (DMA)

This paper investigates the thermal energy effect on electron auto-localization. The polaron characteristics (self-action potential and effective mass) are observed to be expressed via the renormalized electron-phonon coupling constant tailored by the thermal energy. Low temperatures are observed to favour auto-localization of the carrier while high temperatures favour polaron undressing and subsequent quenching of the quantum behaviour thereby rendering the system classical. The critical (transition) temperature τc expressed via the critical coupling constant ϒC is found to be the separating boundary between the quantum and the classical phases. Therefore, the polaron undergoes phase transition (from self-tapped to quasi free states) when the temperature of the medium is enhanced.

Influence of a Magnetic Guide Field on Self-Injection in Wakefield Acceleration

The influence of an external static field applied in the direction of propagation of a high intensity driving laser pulse on the electron trapping in laser wakefield acceleration is explored. It is shown that, in the case of self-injection, the electric charge accelerated can be enhanced in some physical situations.

Simulation of He Behavior in Metals With Embedded Atom Method

The embedded-atom method(EAM)is used to study the behavior of helium in meta-ls.By fitting the measured parameters such as the activation energy and the heat of solution,the EAM potentials of helium in nickel are extracted.Based upon the EAM potentials,thebinding energy and the self-trapping of helium in nickel are investigated with molecular dynam-ics simulation.

Effective Mass of Acoustic Polaron in Quantum Dots

The variational effective mass with respect to the e-p coupling constant for different values of cutoff wave vector is performed in quantum dot. The self-trapping transition of acoustic polaron in quantum dot is reconsidered by character of the effective mass curve varying with the e-p coupling. The holes are determined to be self-trapped in AlN quantum dot systems.