Effect of quantum fluctuations on structural phase transitions in SrTiO_3 and BaTiO_3

Using path-integral Monte Carol simulations and an ab initio effective Hamiltonian, we study the effects of quantum fluctuations on structural phase transitions in the cubic perovskite compounds SrTiO3 and BaTiO3. We find quantum fluctuations affect ferroelectric (FE) transitions more strongly than antiferrodistortive (AFD) ones, even though the effective mass of a single FE local mode is larger. For SrTiO3 we find that the quantum fluctuations suppress the FE transition completely, and reduce the AFD transition temperature from 130K to 110K. For BaTiO3, quantum fluctuations do not affect the order of the transition, but do reduce the transition temperature by 35-50 K. The implications of the calculations are discussed.Comment: Revtex (preprint style, 14 pages) + 2 postscript figures. A version in two-column article style with embedded figures is available at http://electron.rutgers.edu/~dhv/preprints/index.html#wz_qs

A New Solution of the Yang-Baxter Equation Related to the Adjoint Representation of UqB2U_{q}B_{2}

A new solution of the Yang-Baxter equation, that is related to the adjoint representation of the quantum enveloping algebra $U_{q}B_{2}$, is obtained by fusion formulas from a non-standard solution.Comment: 16 pages (Latex), Preprint BIHEP-TH-93-3

Ultrafast photocurrent measurement of the escape time of electrons and holes from carbon nanotube PN junction photodiodes

Ultrafast photocurrent measurements are performed on individual carbon nanotube PN junction photodiodes. The photocurrent response to sub-picosecond pulses separated by a variable time delay {\Delta}t shows strong photocurrent suppression when two pulses overlap ({\Delta}t = 0). The picosecond-scale decay time of photocurrent suppression scales inversely with the applied bias VSD, and is twice as long for photon energy above the second subband E22 as compared to lower energy. The observed photocurrent behavior is well described by an escape time model that accounts for carrier effective mass.Comment: 8 pages Main text, 4 Figure

First-principles investigation of 180-degree domain walls in BaTiO_3

We present a first-principles study of 180-degree ferroelectric domain walls in tetragonal barium titanate. The theory is based on an effective Hamiltonian that has previously been determined from first-principles ultrasoft-pseudopotential calculations. Statistical properties are investigated using Monte Carlo simulations. We compute the domain-wall energy, free energy, and thickness, analyze the behavior of the ferroelectric order parameter in the interior of the domain wall, and study its spatial fluctuations. An abrupt reversal of the polarization is found, unlike the gradual rotation typical of the ferromagnetic case.Comment: Revtex (preprint style, 13 pages) + 3 postscript figures. A version in two-column article style with embedded figures is available at http://electron.rutgers.edu/~dhv/preprints/index.html#pad_wal

A Hierarchical Emotion Regulated Sensorimotor Model: Case Studies

Inspired by the hierarchical cognitive architecture and the perception-action model (PAM), we propose that the internal status acts as a kind of common-coding representation which affects, mediates and even regulates the sensorimotor behaviours. These regulation can be depicted in the Bayesian framework, that is why cognitive agents are able to generate behaviours with subtle differences according to their emotion or recognize the emotion by perception. A novel recurrent neural network called recurrent neural network with parametric bias units (RNNPB) runs in three modes, constructing a two-level emotion regulated learning model, was further applied to testify this theory in two different cases.Comment: Accepted at The 5th International Conference on Data-Driven Control and Learning Systems. 201

First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO3

We carry out a completely first-principles study of the ferroelectric phase transitions in BaTiO$_3$. Our approach takes advantage of two features of these transitions: the structural changes are small, and only low-energy distortions are important. Based on these observations, we make systematically improvable approximations which enable the parameterization of the complicated energy surface. The parameters are determined from first-principles total-energy calculations using ultra-soft pseudopotentials and a preconditioned conjugate-gradient scheme. The resulting effective Hamiltonian is then solved by Monte Carlo simulation. The calculated phase sequence, transition temperatures, latent heats, and spontaneous polarizations are all in good agreement with experiment. We find the transitions to be intermediate between order-disorder and displacive character. We find all three phase transitions to be of first order. The roles of different interactions are discussed.Comment: 33 pages latex file, 9 figure