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# Search results

38 records were found.

## A first-principles study of oxygen vacancy pinning of domain walls in PbTiO3

Comment: 8 pages, with 3 postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/lh_dw/index.html

## Exponential decay properties of Wannier functions and related quantities

Comment: 4 pages, with 3 postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/lh_wann/index.html

## Electronic structures of (In,Ga)As/GaAs quantum dot molecules made of dots with dissimilar sizes

Comment: 11 pages, 11 figures

## Multiple charging of InAs/GaAs quantum dots by electrons or holes: addition energies and ground-state configurations

Comment: 14 pages, 9 figures

## Asset Prices When Agents are Marked-to-Market

"Risk management" in securities markets refers to the oversight of portfolio managers and professional traders when they trade on behalf of investors in security markets. Monitoring of their trading performance, profit and loss, and risk-taking behavior, is measured by principals using security market prices. We study the optimality of the practice of marking-to-market and provide conditions under which investing principals should optimally monitor their agent traders using market prices to measure traders' performance. Asset prices, however, can be affected by mark-to-market contracts. We show that such contracts introduce an externality when there are many traders. Traders may rationally herd, trading on irrelevant information. Ironically, this causes asset prices to be less informative than they would be without the mark-to-market f...

## Ferroelectricity driven by the non-centrosymmetric magnetic ordering in multiferroic TbMn_2O_5: a first-principles study

The ground state structural, electronic and magnetic properties of multiferroic TbMn$_2$O$_5$ are investigated via first-principles calculations. We show that the ferroelectricity in TbMn$_2$O$_5$ is driven by the non-centrosymmetric magnetic ordering, without invoking the spin-orbit coupling and non-collinear spins. The {\it intrinsic} electric polarization in this compound is calculated to be 1187 $nC\cdot$ cm$^{-2}$, an order of magnitude larger than previously thought.

## First-principles study of the lattice and electronic structures of TbMn$_2$O$_5$

Comment: 12 pages, 5 figures

## Systematically improvable optimized atomic basis sets for {\it ab inito} calculations

We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\it spillage} of the wave functions between the atomic orbital calculations and the converged plane wave calculations for dimer systems. The quality of the bases can be systematically improved by increasing the size of the bases within the same framework. The scheme is easy to implement and very flexible. We have done extensive tests of this scheme for wide variety of systems. The results show that the obtained atomic basis sets are very satisfactory for both accuracy and transferability.

## Electronic structure interpolation via atomic orbitals

We present an efficient scheme for accurate electronic structure interpolations based on the systematically improvable optimized atomic orbitals. The atomic orbitals are generated by minimizing the spillage value between the atomic basis calculations and the converged plane wave basis calculations on some coarse $k$-point grid. They are then used to calculate the band structure of the full Brillouin zone using the linear combination of atomic orbitals (LCAO) algorithms. We find that usually 16 -- 25 orbitals per atom can give an accuracy of about 10 meV compared to the full {\it ab initio} calculations. The current scheme has several advantages over the existing interpolation schemes. The scheme is easy to implement and robust which works equally well for metallic systems and systems with complex band structures. Furthermore, the ato...

## Molecular-spin dynamics study of electromagnons in multiferroic RMn$_2$O$_5$

We investigate the electromagnon in magnetoferroelectrics RMn$_2$O$_5$ using combined molecular-spin dynamics simulations. We identify the origin of the electromagnon modes observed in the optical spectra and reproduce the most salient features of the electromagnon in these compounds. We find that the electromagnon frequencies are very sensitive to the magnetic wave vector along the $a$ direction. We further investigate the electromagnon in magnetic field. Although the modes frequencies change significant under magnetic field, the static dielectric constant electromagnon does not change much in the magnetic field.
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