7.2k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University of Tennessee at KnoxvilleUS2.7k papers
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23 papers · 2 filters
Electronic Structure and Bulk Spin Valve Behavior in CaRuO
D. J. Singh, S. Auluck
We report density functional calculations of the magnetic properties and Fermiology of CaRuO. The ground state consists of ferromagnetic bilayers, stacked antiferromagn…
Radiative recombination of charged excitons and multiexcitons in CdSe quantum dots
M. C. Troparevsky, A. Franceschetti
We report semi-empirical pseudopotential calculations of emission spectra of charged excitons and biexcitons in CdSe nanocrystals. We find that the main emission peak of charged mu…
Competing periodicities in fractionally filled one-dimensional bands
P. C. Snijders, S. Rogge, H. H. Weitering
We present a variable temperature Scanning Tunneling Microscopy and Spectroscopy (STM and STS) study of the Si(553)-Au atomic chain reconstruction. This quasi one-dimensional (1D)…
Study of the One- and Two-Band Models for Colossal Magnetoresistive Manganites Using the Truncated Polynomial Expansion Method
C. Sen, G. Alvarez, Y. Motome +5
Considerable progress has been recently made in the theoretical understanding of the colossal magnetoresistance (CMR) effect in manganites. The analysis of simple models with two c…
Dynamic Behavior in Piezoresponse Force Microscopy
Stephen Jesse, Arthur P. Baddorf, Sergei V. Kalinin
Frequency dependent dynamic behavior in Piezoresponse Force Microscopy (PFM) implemented on a beam-deflection atomic force microscope (AFM) is analyzed using a combination of model…
A Decade of Piezoresponse Force Microscopy: Progress, Challenges and Opportunities
Sergei V. Kalinin, Andrei Rar, Stephen Jesse
Coupling between electrical and mechanical phenomena is a near-universal characteristic of inorganic and biological systems alike, with examples ranging from ferroelectric perovski…
Electron-hole and plasmon excitations in 3d transition metals: Ab initio calculations and inelastic x-ray scattering measurements
I. G. Gurtubay, J. M. Pitarke, Wei Ku +5
We report extensive all-electron time-dependent density-functional calculations and nonresonant inelastic x-ray scattering measurements of the dynamical structure factor of 3d tran…
Screening of point charges in Si quantum dots
Alberto Franceschetti, M. Claudia Troparevsky
The screening of point charges in hydrogenated Si quantum dots ranging in diameter from 10 A to 26 A has been studied using first-principles density-functional methods. We find tha…
Band Structure and Quantum Conductance of Nanostructures from Maximally-Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes
Young-Su Lee, Marco Buongiorno Nardelli, Nicola Marzari
We have combined large-scale, -point electronic-structure calculations with the maximally-localized Wannier functions approach to calculate efficiently the band structure and th…
Suppressed magnetization in LaCaMnO/YBaCuO superlattices
A. Hoffmann, S. G. E. te Velthuis, Z. Sefroui +4
We studied the magnetic properties of LaCaMnO / YBaCuO superlattices. Magnetometry showed that with increasing YBaCuO layer thic…
Electronic Transport Imaging in a Multiwire SnO2 ChemFET Device
S. V. Kalinin, J. Shin, S. Jesse +5
The electronic transport and the sensing performance of an individual SnO2 crossed nanowires device in a three-terminal field effect configuration were investigated using a combina…
Exchange Biasing of the Ferromagnetic Semiconductor (Ga,Mn)As by MnO
K. F. Eid, M. B. Stone, O. Maksimov +6
We provide an overview of progress on the exchange biasing of a ferromagnetic semiconductor (Ga1-xMnxAs) by proximity to an antiferromagnetic oxide layer (MnO). We present a detail…
Comparison of methods for estimating continuous distributions of relaxation times
Enis Tuncer, J. Ross Macdonald
The nonparametric estimation of the distribution of relaxation times approach is not as frequently used in the analysis of dispersed response of dielectric or conductive materials…
Electromechanical Imaging of Biological Systems with Sub-10 nm Resolution
Sergei V. Kalinin, B. J. Rodriguez, S. Jesse +2
Electromechanical imaging of tooth dentin and enamel has been performed with sub-10 nm resolution using piezoresponse force microscopy. Characteristic piezoelectric domain size and…
Scaling of Fracture Strength in Disordered Quasi-Brittle Materials
Phani Kumar V. V. Nukala, Srdjan Simunovic
This paper presents two main results. The first result indicates that in materials with broadly distributed microscopic heterogeneities, the fracture strength distribution correspo…
An Efficient Block Circulant Preconditioner For Simulating Fracture Using Large Fuse Networks
Phani Kumar V. V. Nukala, Srdjan Simunovic
{\it Critical slowing down} associated with the iterative solvers close to the critical point often hinders large-scale numerical simulation of fracture using discrete lattice netw…
An Efficient Algorithm For Simulating Fracture Using Large Fuse Networks
Phani Kumar V. V. Nukala, Srdjan Simunovic
The high computational cost involved in modeling of the progressive fracture simulations using large discrete lattice networks stems from the requirement to solve {\it a new large…
Cl electrosorption on Ag(100): Lateral interactions and electrosorption valency from comparison of Monte Carlo simulations with chronocoulometry experiments
I. Abou Hamad, S. J. Mitchell, Th. Wandlowski +2
We present Monte Carlo Simulations using an equilibrium lattice-gas model for the electrosorption of Cl on Ag(100) single-crystal surfaces. Fitting the simulated isotherms to chron…
Goldstone-Mode Phonon Dynamics in the Pyrochlore Cd2Re2O7
C. A. Kendziora, I. A. Sergienko, R. Jin +4
We have measured the polarized Raman scattering spectra of Cd2Re2O7, the first superconducting pyrochlore, as a function of temperature. For temperatures below the cubic-to-tetrago…
Bonding Configurations and Collective Patterns of Ge Atoms Adsorbed on Si(111)-7x7
Y. L. Wang, H. -J. Gao, H. M. Guo +2
We report scanning tunneling microscopy observations of Ge deposited on the Si(111)-7x7 surface for a sequence of sub-monolayer coverages. We demonstrate that Ge atoms replace so-c…
Statistical properties of fracture in a random spring model
Phani Kumar V. V. Nukala, Stefano Zapperi, Srdan Simunovic
Using large scale numerical simulations we analyze the statistical properties of fracture in the two dimensional random spring model and compare it with its scalar counterpart: the…
Spin waves in paramagnetic BCC iron: spin dynamics simulations
Xiuping Tao, D. P. Landau, T. C. Schulthess +1
Large scale computer simulations are used to elucidate a longstanding controversy regarding the existence, or otherwise, of spin waves in paramagnetic BCC iron. Spin dynamics simul…
Finite-temperature Simulations for Magnetic Nanostructures
M. A. Novotny, D. T. Robb, S. M. Stinnett +2
We examine different models and methods for studying finite-temperature magnetic hysteresis in nanoparticles and ultrathin films. This includes micromagnetic results for the hyster…