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Showing 2006 · cond-mat.mtrl-sciShow all

18 papers · 2 filters

cond-mat.mtrl-sci2006★ 97 cited

Nanoscale polarization manipulation and imaging in ferroelectric Langmuir-Blodgett polymer films

Brian J. Rodriguez, Stephen Jesse, Sergei V. Kalinin +3

The behavior of ferroelectricity at the nanoscale is the focus of increasing research activity because of intense interest in the fundamental nature of spontaneous order in condens…

cond-mat.mtrl-sci2006★ 79 cited

Piezoresponse Force Spectroscopy of Ferroelectric Materials

Anna N. Morozovska, Sergei V. Svechnikov, Eugene A. Eliseev +3

Piezoresponse Force Spectroscopy (PFS) has emerged as a powerful technique for probing highly localized switching behavior and the role of microstructure and defects on switching.…

cond-mat.mtrl-sci2006★ 26 cited

First Principles Electronic Structure of Mn doped GaAs, GaP, and GaN semiconductors

T. C. Schulthess, W. M. Temmerman, Z. Szotek +2

We present first-principles electronic structure calculations of Mn doped III-V semiconductors based on the local spin-density approximation (LSDA) as well as the self-interaction…

cond-mat.mtrl-sci2006★ 18 cited

Cohesion of BaReH and BaMnH: Density Functional Calculations and Prediction of (MnH Salts

D. J. Singh, M. Gupta, R. Gupta

Density functional calculations are used to calculate the structural and electronic properties of BaReH and to analyze the bonding in this compound. The high coordination in Ba…

cond-mat.mtrl-sci2006★ 309 cited

Electronic structure of normal and inverse spinel ferrites from first principles

Z. Szotek, W. M. Temmerman, D. Koedderitzsch +3

We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFeO$_{4…

cond-mat.mtrl-sci2006★ 26 cited

Dielectric properties and lattice dynamics of Ca-doped KLiTaO

S. Wakimoto, G. A. Samara, R. K. Grubbs +5

Relaxor behavior and lattice dynamics have been studied for a single crystal of KLiTaO , where a small amount of a Ca impurity (~ppm) was incorpo…

cond-mat.mtrl-sci2006★ 85 cited

Electromechanical Detection in Scanning Probe Microscopy: Tip Models and Materials Contrast

Eugene A. Eliseev, Sergei V. Kalinin, Stephen Jesse +2

The rapid development of nanoscience and nanotechnology in the last two decades was stimulated by the emergence of scanning probe microscopy (SPM) techniques capable of accessing l…

cond-mat.mtrl-sci2006★ 4 cited

Valency Configuration of Transition Metal Impurities in ZnO

L. Petit, T. C. Schulthess, A. Svane +3

We use the self-interaction corrected local spin-density approximation to investigate the ground state valency configuration of transition metal (TM = Mn, Co) impurities in n- and…

cond-mat.mtrl-sci2006★ 61 cited

Domain Nucleation and Hysteresis Loop Shape in Piezoresponse Force Spectroscopy

Anna N. Morozovska, Eugene A. Eliseev, Sergei V. Kalinin

Electromechanical hysteresis loop measurements in Piezoresponse Force Microscopy (Piezoresponse Force Spectroscopy) have emerged as a powerful technique for probing ferroelectric s…

cond-mat.mtrl-sci2006★ 6 cited

Magnetic Instabilities and Phase Diagram of the Double-Exchange Model in Infinite Dimensions

R. S. Fishman, F. Popescu, G. Alvarez +3

Dynamical mean-field theory is used to study the magnetic instabilities and phase diagram of the double-exchange (DE) model with Hund's coupling J_H >0 in infinite dimensions. In a…

cond-mat.mtrl-sci2006★ 22 cited

Origin of ferromagnetism in CsAgF: importance of Ag - F covalency

Deepa Kasinathan, A. B. Kyker, D. J. Singh

The magnetic nature of CsAgF, an isoelectronic and isostructural analogue of LaCuO, is analyzed using density functional calculations. The ground state is found…

cond-mat.mtrl-sci2006★ 7 cited

A single layer of Mn in a GaAs quantum well: a ferromagnet with quantum fluctuations

Roger G. Melko, Randy S. Fishman, Fernando A. Reboredo

Some of the highest transition temperatures achieved for Mn-doped GaAs have been in delta-doped heterostructures with well-separated planes of Mn. But in the absence of magnetic an…

cond-mat.mtrl-sci2006★ 70 cited

Electronic structure of rare-earth impurities in GaAs and GaN

A. Svane, N. E. Christensen, L. Petit +2

The electronic structures of substitutional rare-earth (RE) impurities in GaAs and cubic GaN are calculated. The total energy is evaluated with the self-interaction corrected local…

cond-mat.mtrl-sci2006★ 75 cited

Materials Contrast in Piezoresponse Force Microscopy

Sergei V. Kalinin, Eugene A. Eliseev, Anna N. Morozovska

Piezoresponse Force Microscopy contrast in transversally isotropic material corresponding to the case of c+ - c- domains in tetragonal ferroelectrics is analyzed using Green's func…

cond-mat.mtrl-sci2006★ 6.2k cited

BoltzTraP. A code for calculating band-structure dependent quantities

Georg K. H. Madsen, David J. Singh

A program for calculating the semi-classic transport coefficients is described. It is based on a smoothed Fourier interpolation of the bands. From this analytical representation we…

cond-mat.mtrl-sci2006★ 21 cited

Multiple transfer of angular momentum quanta from a spin-polarized hole to magnetic ions in ZnMnSe/ZnBeSe quantum wells

A. V. Akimov, A. V. Scherbakov, D. R. Yakovlev +4

The magnetization kinetics in (Zn,Mn)Se/(Zn,Be)Se quantum wells has been studied on a ps-time scale after pulsed laser excitation. The magnetization induced by an external magnetic…

cond-mat.mtrl-sci2006★ 24 cited

Critical Temperatures of a Two-Band Model for Diluted Magnetic Semiconductors

F. Popescu, Y. Yildirim, G. Alvarez +2

Using Dynamical Mean Field Theory (DMFT) and Monte Carlo (MC) simulations, we study the ferromagnetic transition temperature Tc of a two-band model for Diluted Magnetic Semiconduct…

cond-mat.mtrl-sci2006★ 47 cited

Electronic structure and bond competition in the polar magnet PbVO

D. J. Singh

Density functional electronic structure studies of tetragonal PbVO are reported. The results show a an important role for both Pb 6 - O 2 and V - O bonding, with…