arXiv subjects
Publications and source records attributed to M. W. Wu.
Two typos in the published paper are pointed out. Both are just typos and the calculations in that paper are based on the correct formulism.
We study how the binding energy, the vibrational frequencies and the adsorption isotherm of CO on Pd(100) are modified when the solid is subject to uniform strain. The parameters controlling the thermodynamics of adsorption (the adsorption energy, the vibrational frequencies of the adsorbed molecules and the interaction energy between the molecules) have been calculated by using density functional theory. These parameters are then used in a grand canonical Monte Carlo simulation that determines the CO coverage when the surface is in thermodynamic equilibrium with a CO gas, at a specified pressure and temperature. We find that this is substantially affected by the strain. Our results, along with those obtained by others, suggest that the development of "elastochemistry", a study of the change in the chemical properties of a surface when subjected to strain, will lead to interesting and measurable results. It also suggests that differences in chemical activity between clusters on a support and clusters in gas phase may be partly due to the strain induced when a cluster is placed on the support.
We study the kinetics of spin coherence of optically excited electrons in an undoped insulating ZnSe/Zn$_{1-x}$Cd$_x$Se quantum well under moderate magnetic fields in the Voigt configuration. After clarifying the optical coherence and the spin coherence, we build the kinetic Bloch equations and calculate dephasing and relaxation kinetics of laser pulse excited plasma due to statically screened Coulomb scattering and electron hole spin exchange. We find that the Coulomb scattering can not cause the spin dephasing, and that the electron-hole spin exchange is the main mechanism of the spin decoherence. Moreover the beat frequency in the Faraday rotation angle is determined mainly by the Zeeman splitting, red shifted by the Coulomb scattering and the electron hole spin exchange. Our numerical results are in agreement with experiment findings. A possible scenario for the contribution of electron-hole spin exchange to the spin dephasing of the $n$-doped material is also proposed.
We investigate the femtosecond kinetics of optically excited 2D magneto-plasma. We calculate the femtosecond dephasing and relaxation kinetics of the laser pulse excited magneto-plasma due to bare Coulomb potential scattering, because screening is under these conditions of minor importance. By taking into account four Landau subbands in both the conduction band and the valence band, we are now able to extend our earlier study [Phys. Rev. B {\bf 58}, 1998,in print (see also cond-mat/9808073] to lower magnetic fields. We can also fix the magnetic field and change the detuning to further investigate the carrier density-dependence of the dephasing time. For both cases, we predict strong modulation in the dephasing time.
We investigate the femtosecond kinetics of an optically excited 2D magneto-plasma at intermediate and high densities under a strong magnetic field perpendicular to the quantum well (QW). We assume an additional weak lateral confinement which lifts the degeneracy of the Landau levels partially. We calculate the femtosecond dephasing and relaxation kinetics of the laser pulse excited magneto-plasma due to bare Coulomb potential scattering, because screening is under these conditions of minor importance. In particular the time-resolved and time-integrated four-wave mixing (FWM) signals are calculated by taking into account three Landau subbands in both the valance and the conduction band assuming an electron-hole symmetry. The FWM signals exhibit quantum beats mainly with twice the cyclotron frequency. Contrary to general expectations, we find no pronounced slowing down of the dephasing with increasing magnetic field. On the contrary, one obtains a decreasing dephasing time because of the increase of the Coulomb matrix elements and the number of states in a given Landau subband. In the situation when the loss of scattering channels exceeds these increasing effects, one gets a slight increase at the dephasing time. However, details of the strongly modulated scattering kinetics depend sensitively on the detuning, the plasma density, and the spectral pulse width relative to the cyclotron frequency.
We have studied the exciton states in two coupled conjugated polymer chains which are modeled individually by the Su-Schrieffer-Heeger Hamiltonian and coupled by an interchain electron-transfer term. Both the intra- and inter-chain long range Coulomb interactions are taken into account. The properties of the lowest symmetric and antisymmetric exciton states are extensively discussed for both the parallel and anti-parallel ordering between these two chains. It is found that, for these two kinds of ordering, the features of excitons are quite different. Possible implications for the experiment of luminescent polymers are also addressed.
In a pair of coupled donor-acceptor conjugated polymer chains, it is possible for an exciton photoexcited on either polymer to decay into a hole in the donor polymer's valence band and an electron in the conduction band of the acceptor polymer. We calculate the corresponding exciton decay rate and its dependence on inter-polymer distance. For a pair of derivatives of poly(phenylene vinylene), PPV, specifically poly[2-methoxy, 5-(2$^\prime$-ethyl-hexyloxy)-1, 4 PPV], MEH-PPV, and poly(2,5-hexyloxy $p$-phenylene cyanovinylene), CN-PPV, at a separation of 6 Åthe characteristic decay time is 2.2 ps, whereas at 4 Åit is $\sim 50$ fs.
Optical excitation of a chain in a polymer film may result in formation of an excimer, a superposition of on-chain excitons and charge-transfer excitons on the originally excited chain and a neighboring chain. The excimer emission is red-shifted compared to that of an on-chain exciton by an amount depending on the interchain coupling $t_\perp$. Setting up the excimer wavefunction and calculating the red shift, we determine average $t_\perp$ values, referred to a monomer, of 0.52 eV and 0.16 eV for poly(2,5-hexyloxy $p$-phenylene cyanovinylene), CN-PPV, and poly[2-methoxy, 5-(2'-ethyl-hexyloxy)-1, 4 p-phenylene vinylene], MEH-PPV, respectively, and use them to determine the effect of interchain distance on the emission.
Conduction in pristine conjugated polymers (other than polyacetylene) is by polaron hopping between sites corresponding to conjugation lengths. The strong increase of current $I$ with voltage $V$ observed for both emission-limited and ohmic contacts is due in large part to mobility increase as increasing field makes it more possible to overcome internal barriers, such as energy differences between sites. For emission-limited contacts an additional source of nonlinear increase of $I$ with increasing $V$ is greater ability to escpe return to the injecting electrode due to the image force. For ohmic contacts additional nonlinearity comes from space charge effects. We are able to fit $I$ vs. $V$ for electron or hole conduction in some poly($p$-phenylene vinylene), PPV, derivatives with ohmic contacts for reasonable values of the parameters involved.
The variation of current I with voltage V for poly(phenylene vinylene) and other polymer light-emitting diodes has been attributed to carriers tunneling into broad conduction and valence bands. In actuality the electrons and holes tunnel into polaron levels and transport is by hopping among these levels. We show that for small injection the I-V characteristic is determined mainly by the image force, for large injection by space charge effects, but in both cases the strong variation of mobility with field due to disorder plays an important role.
The field-effect mobility of hole polarons in $α$-sexithiophene, measured in thin film transistors, was shown to be well fitted by Holstein's small polaron theory. Unfortunately, Holstein's formulation is based on an integral that does not converge. We show that the data are well fitted by a theory of polaron transport that was successful in accounting for mobility in molecular crystals of naphthalene.
In this letter we clarify the role of heat flux in the hydrodynamic balance equations in 2D quantum wells, facilitating the formulation of an Onsager relation within the framework of this theory. We find that the Onsager relation is satisfied within the framework of the 2D hydrodynamic balance equation transport theory at sufficiently high density. The condition of high density is consonant with the requirement of strong electron-electron interactions for the validity of our balance equation formulation.
Momentum transfer due to electron-electron interaction (Coulomb drag) between two quantum wells, separated by a distance $d$, in the presence of a perpendicular magnetic field, is studied at low temperatures. We find besides the well known Shubnikov-de Haas oscillations, which also appear in the drag effect, the momentum transfer is markedly enhanced by the magnetic field.
In this paper we clarify the role of heat flux in the hydrodynamic balance equations, facilitating the formulation of an Onsager relation within the framework of this theory. Previously thought to be unobtainable from the present form of the theory [X.L. Lei, J. Cai, and L.M. Xie, Phys. Rev. B {\bf 38},1529 (1988)], our verification of the Onsager relation for linear particle and heat flux currents driven by electric fields and temperature gradients resolves a puzzling issue of long standing. Our results show that, for any temperature, when electron density is sufficiently high, the linear predictions of balance equation theory exactly satisfy the Onsager relation. The condition of high density is consonant with the requirement of strong electron-electron interactions for the validity of the Lei-Ting balance equations. Our results support the validity of this theory for a weakly nonuniform system. We also discuss a possible method of extending this theory to a system further removed from thermal equilibrium.
We carry out a calculation of the phonon-drag contribution $S_g$ to the thermoelectric power of bulk semiconductors and quantum well structures for the first time using the balance equation transport theory extended to the weakly nonuniform systems. Introducing wavevector and phonon-mode dependent relaxation times due to phonon-phonon interactions, the formula obtained can be used not only at low temperatures where the phonon mean free path is determined by boundary scattering, but also at high temperatures. In the linear transport limit, $S_g$ is equivalent to the result obtained from the Boltzmann equation with a relaxation time approximation. The theory is applied to experiments and agreement is found between the theoretical predictions and experimental results. The role of hot-electron effects in $S_g$ is discussed. The importance of the contribution of $S_g$ to thermoelectric power in the hot-electron transport condition is emphasized.