Electrostriction: A density functional theory

Vijayadamodar, G. V.; Bagchi, B.
July 1991
Journal of Chemical Physics;7/15/1991, Vol. 95 Issue 2, p1168
Academic Journal
A study of electrostriction in a dipolar liquid is carried out by using the density functional theory for inhomogeneous systems. A general expression for electrostriction due to a position-dependent electric field is derived. The expression for the electrostriction due to a constant macroscopic electric field is derived in terms of both orientational structure factors and dielectric function. This expression is found to reduce exactly to the expression derived earlier by Rasaiah, Isbister, and Stell when the proper identifications are made. A study of the change in density profile around a point ion in the dipolar liquid is carried out. It is found that the density profile is oscillatory, which is expected. However, our expression which considers only the quadratic nonlinearity in the electric field, breaks down at a very short distance from the ion. The microscopic structure of the liquid is shown to play an important role at the molecular length scales.


Related Articles

  • Effects of emitter-base junction gradation on the minority-carrier transport in the base region of bipolar junction transistors. Sukulal, K.; Bhat, K. N. // Journal of Applied Physics;11/15/1986, Vol. 60 Issue 10, p3759 

    Investigates the effects of emitter-base junction gradiation, mobility gradients and electric field gradients on the injected minority-carrier density distributions in the base region of narrow-base transistors. Implication of modified boundary conditions, mobility gradients and the retarding...

  • Mechanic and electromechanic effects in biaxially stretched liquid crystal elastomers. Diaz-Calleja, Ricardo; Llovera-Segovia, Pedro; Riande, Evaristo; Quijano López, Alfredo // Applied Physics Letters;2/4/2013, Vol. 102 Issue 5, p052901 

    The effect of combined electromechanic force fields in nematic side chain liquid crystal elastomers will be analyzed. A biaxially stretched plate in the x- and y-directions under an electric field applied in the perpendicular direction to the plate will be considered. A neo-Hookean model is...

  • Charge separation and covalent bonding in metal oxide surfaces: A local density functional study on the MgO(001) surface. Birkenheuer, U.; Boettger, J. C.; Rösch, N. // Journal of Chemical Physics;5/1/1994, Vol. 100 Issue 9, p6826 

    A first principles local density functional investigation on extended, two-dimensional periodic slab models of the MgO(001) surface is performed, using the linear combination of Gaussian-type orbitals (LCGTO) technique as implemented in the FILMS program package. Stimulated by recent theoretical...

  • Structure of inhomogeneous dipolar fluids: A density functional approach. Patra, Chandra N.; Ghosh, Swapan K. // Journal of Chemical Physics;2/15/1997, Vol. 106 Issue 7, p2752 

    Presents a density functional approach to the study of the structure of inhomogeneous dipolar fluids consisting of dipolar hard spheres in the presence of external electric fields. Effect of short-range and long-range hard sphere-like correlations; Nonuniform density expanded in terms of...

  • The accuracy of density functionals for electric field gradients. Test calculations for ScX, CuX and GaX (X=F, Cl, Br, I, H and Li). Bast, Radovan; Schwerdtfeger, Peter // Journal of Chemical Physics;9/22/2003, Vol. 119 Issue 12, p5988 

    In a previous paper [J. Chem. Phys. 111, 3357 (1999)] we showed that the electric field gradient at the copper nucleus in CuCl is incorrectly described by most of the density functionals currently in use, including gradient corrected and hybrid versions of DFT. Here we analyze whether this error...

  • Water clusters (H2O)n, n=6–8, in external electric fields. Rai, Dhurba; Kulkarni, Anant D.; Gejji, Shridhar P.; Pathak, Rajeev K. // Journal of Chemical Physics;1/21/2008, Vol. 128 Issue 3, p034310 

    Structural evolution of water clusters, (H2O)n, n=6–8, induced by a uniform static external electric field is studied within the density functional theory. The electric field is seen to stretch the intermolecular hydrogen bonds in the water clusters, eventually breaking them at some...

  • Effect of electric fields and fluctuations on confinement in a bumpy torus. Hiroe, S.; Glowienka, J. C.; Hillis, D. L.; Wilgen, J. B.; Chen, G. L.; Cobble, J. A.; El Nadi, A. M.; Goyer, J. R.; Solensten, L.; Casson, W. H.; Hankins, O. E.; Quon, B. H. // Physics of Fluids (00319171);Mar87, Vol. 30 Issue 3, p847 

    In order to understand the relationships between confinement and space potential (electric field) and between confinement and density fluctuations, plasma parameters in the ELMO Bumpy Toms Scale (EBT-S) [in Plasma Physics and Controlled Nuclear Fusion Research (IAEA, Tokyo, 1974), Vol. 2, p....

  • The accuracy of current density functionals for the calculation of electric field gradients: A... Schwerdtfeger, Peter; Pernpointner, Markus; Laerdahl, Jon K. // Journal of Chemical Physics;8/22/1999, Vol. 111 Issue 8, p3357 

    Analyzes the performance of current density functionals for the electric field gradients (EFG) of hydrogen chloride and copper chloride by comparison with ab initio methods. Good agreement with coupled cluster hydrogen and chloride field gradients for hydrogen chloride; Performance of most...

  • Dielectric discontinuity at a twin boundary in Si(111). Nakamura, Jun; Natori, Akiko // AIP Conference Proceedings;2007, Vol. 893 Issue 1, p5 

    Spatial variations in dielectric constant for the Si films having various stackings have been illustrated using the first-principles calculations based on the density functional theory in external electric fields. The theoretical value of the optical dielectric constant,...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics