Long-Range Coulomb Effect on the Antiferromagnetism in Electron-doped Cuprates

Using mean-field theory, we illustrate the long-range Coulomb effect on the antiferromagnetism in the electron-doped cuprates. Because of the Coulomb exchange effect, the magnitude of the effective next nearest neighbor hopping parameter increases appreciably with increasing the electron doping concentration, raising the frustration to the antiferromagnetic ordering. The Fermi surface evolution in the electron-doped cuprate Nd$_{2-x}$Ce$_x$CuO$_4$ and the doping dependence of the onset temperature of the antiferromagnetic pseudogap can be reasonably explained by the present consideration.Comment: 4 pages, 4 figure

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

Twisted quantum affine algebras and solutions to the Yang-Baxter equation

We construct spectral parameter dependent R-matrices for the quantized enveloping algebras of twisted affine Lie algebras. These give new solutions to the spectral parameter dependent quantum Yang-Baxter equation.Comment: Latex 24 pages. Misprints in eqs.(4.26) and (A.11) are corrected, cosmetic changes from "affine Kac-Moody algebras" to "affine Lie algebras" are made throughout the paper following a suggestion by M.B. Halpern, and one reference is adde

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

Solutions of the Yang-Baxter Equation with Extra Non-Additive Parameters II: Uq(gl(m∣n))U_q(gl(m|n))}

The type-I quantum superalgebras are known to admit non-trivial one-parameter families of inequivalent finite dimensional irreps, even for generic $q$. We apply the recently developed technique to construct new solutions to the quantum Yang-Baxter equation associated with the one-parameter family of irreps of $U_q(gl(m|n))$, thus obtaining R-matrices which depend not only on a spectral parameter but in addition on further continuous parameters. These extra parameters enter the Yang-Baxter equation in a similar way to the spectral parameter but in a non-additive form.Comment: 10 pages, LaTex file (some errors in the Casimirs corrected

On Type-I Quantum Affine Superalgebras

The type-I simple Lie-superalgebras are $sl(m|n)$ and $osp(2|2n)$. We study the quantum deformations of their untwisted affine extensions $U_q(sl(m|n)^{(1)})$ and $U_q(osp(2|2n)^{(1)})$. We identify additional relations between the simple generators (``extra $q$-Serre relations") which need to be imposed to properly define \uqgh and $U_q(osp(2|2n)^{(1)})$. We present a general technique for deriving the spectral parameter dependent R-matrices from quantum affine superalgebras. We determine the R-matrices for the type-I affine superalgebra $U_q(sl(m|n)^{(1)})$ in various representations, thereby deriving new solutions of the spectral-dependent Yang-Baxter equation. In particular, because this algebra possesses one-parameter families of finite-dimensional irreps, we are able to construct R-matrices depending on two additional spectral-like parameters, providing generalizations of the free-fermion model.Comment: 23 page

Infinite Families of Gauge-Equivalent RR-Matrices and Gradations of Quantized Affine Algebras

Associated with the fundamental representation of a quantum algebra such as $U_q(A_1)$ or $U_q(A_2)$, there exist infinitely many gauge-equivalent $R$-matrices with different spectral-parameter dependences. It is shown how these can be obtained by examining the infinitely many possible gradations of the corresponding quantum affine algebras, such as $U_q(A_1^{(1)})$ and $U_q(A_2^{(1)})$, and explicit formulae are obtained for those two cases. Spectral-dependent similarity (gauge) transformations relate the $R$-matrices in different gradations. Nevertheless, the choice of gradation can be physically significant, as is illustrated in the case of quantum affine Toda field theories.Comment: 14 pages, Latex, UQMATH-93-10 (final version for publication

First-principles study of stability and vibrational properties of tetragonal PbTiO_3

A first-principles study of the vibrational modes of PbTiO_3 in the ferroelectric tetragonal phase has been performed at all the main symmetry points of the Brillouin zone (BZ). The calculations use the local-density approximation and ultrasoft pseudopotentials with a plane-wave basis, and reproduce well the available experimental information on the modes at the Gamma point, including the LO-TO splittings. The work was motivated in part by a previously reported transition to an orthorhombic phase at low temperatures [(J. Kobayashi, Y. Uesu, and Y. Sakemi, Phys. Rev. B {\bf 28}, 3866 (1983)]. We show that a linear coupling of orthorhombic strain to one of the modes at Gamma plays a role in the discussion of the possibility of this phase transition. However, no mechanical instabilities (soft modes) are found, either at Gamma or at any of the other high-symmetry points of the BZ.Comment: 8 pages, two-column style with 3 postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/index.html#ag_pbt

Study of axial strain induced torsion of single wall carbon nanotubes by 2D continuum anharmonic anisotropic elastic model

Recent molecular dynamic simulations have found chiral single wall carbon nanotubes (SWNTs) twist during stretching, which is similar to the motion of a screw. Obviously this phenomenon, as a type of curvature-chirality effect, can not be explained by usual isotropic elastic theory of SWNT. More interestingly, with larger axial strains (before buckling), the axial strain induced torsion (a-SIT) shows asymmetric behaviors for axial tensile and compressing strains, which suggests anharmonic elasticity of SWNTs plays an important role in real a-SIT responses. In order to study the a-SIT of chiral SWNTs with actual sizes, and avoid possible deviations of computer simulation results due to the finite-size effect, we propose a 2D analytical continuum model which can be used to describe the the SWNTs of arbitrary chiralities, curvatures, and lengths, with the concerning of anisotropic and anharmonic elasticity of SWNTs. This elastic energy of present model comes from the continuum limit of lattice energy based on Second Generation Reactive Empirical Bond Order potential (REBO-II), a well-established empirical potential for solid carbons. Our model has no adjustable parameters, except for those presented in REBO-II, and all the coefficients in the model can be calculated analytically. Using our method, we obtain a-SIT responses of chiral SWNTs with arbitrary radius, chiralities and lengthes. Our results are in reasonable agreement with recent molecular dynamic simulations. [Liang {\it et. al}, Phys. Rev. Lett, ${\bf 96}$, 165501 (2006).] Our approach can also be used to calculate other curvature-chirality dependent anharmonic mechanic responses of SWNTs.Comment: 14 pages, 2 figure

Multiparty Quantum Secret Sharing Based on Entanglement Swapping

A multiparty quantum secret sharing (QSS) protocol is proposed by using swapping quantum entanglement of Bell states. The secret messages are imposed on Bell states by local unitary operations. The secret messages are split into several parts and each part is distributed to a party so that no action of a subset of all the parties but their entire cooperation is able to read out the secret messages. In addition, the dense coding is used in this protocol to achieve a high efficiency. The security of the present multiparty QSS against eavesdropping has been analyzed and confirmed even in a noisy quantum channel.Comment: 5 page