Condensed Matter Physics Commons^™

Accuracy And Limitations Of Localized Green’S Function Methods For Materials Science Applications, Duane D. Johnson, Andrei V. Smirnov

Duane D. Johnson

We compare screened real-space and reciprocal-space implementations of Korringa-Kohn-Rostoker electronic-structure method for their applicability to largescale problems requiring various levels of accuracy. We show that real-space calculations in metals can become impractical to describe energies. We suggest a combined r- and k-space scheme as the most efficient and flexible strategy for accurate energy calculations. Our hybrid code is suitable for (parallel) large-scale calculations involving complex, multicomponent systems. We also discuss how details of numerical procedures can affect accuracy of such calculations.

Atomic And Electronic Structure Of Co/Srtio3/Co Tunnel Junctions, Ivan I. Oleinik, Evgeny Y. Tsymbal, David G. Pettifor

Evgeny Tsymbal Publications

First-principles density-functional calculations of the atomic and electronic structure of Co/SrTiO₃ /Co (001) magnetic tunnel junctions (MTJ’s) are performed. Different interface terminations are considered and the most stable structure with the TiO₂ termination is identified based on energetics of adhesion. The calculated electronic structure of the TiO₂-terminated MTJ shows an exchange coupling between the interface Co and Ti atoms mediated by oxygen. This coupling induces a magnetic moment of 0.25 µ_B on the interface Ti atom, which is aligned antiparallel to the magnetic moment of the Co layer. We argue that this might cause an …

Absorption Of Microwaves In La1Àxsrxmno3 Manganese Powders Over A Wide Bandwidth, G. Li, G. G. Hu, H. D. Zhou, Xiaojuan Fan, X. G. Li

Physics Faculty Research

We present the frequency dependence of microwave-absorbing properties of La_1-xSr_xMnO₃ (x=0.4, 0.5, 0.6, and 0.7) powders at room temperature. The absorbing properties change gradually with x in the frequency range of 8–12 GHz. The optimal absorption can be achieved for a x=0.4 sample and its microwave loss peak value is about 25 dB. Further experimental results show that the absorption can be attributed to magnetic and dielectric losses and the microwave loss peak corresponds to the maximum dielectric loss tangent tan δ_e near 10.5 GHz. Furthermore, the absorbing properties of the oxides mixed with …

Local Impurity-Assisted Conductance In Magnetic Tunnel Junctions, Evgeny Y. Tsymbal, David G. Pettifor

Evgeny Tsymbal Publications

Using a simple tight-binding model and the Kubo formula we have calculated the lateral distribution of the tunneling conductance across a magnetic tunnel junction probed by STM. We find that the presence of an isolated impurity within the barrier layer can cause a spike in the conductance distribution, which is in agreement with recent experiments. We show that the local tunneling magnetoresistance (TMR) is very sensitive to the electronic state of the impurity and to the lateral position of the tip. The latter dramatic variation in TMR could be detected by STM.

Vortex-Defect Interactions In High-Temperature Superconductors, Valentina Tobos

Dissertations

The topics covered in this thesis are related to two objectives: one refers to the search for methods of improving die critical current density of high-temperature superconductors, a subject which remains of continuing interest for its importance in technological applications. The other direction is aimed at clarifying the phase diagram of high-Tc materials.

The interaction between the structural defects and the vortex system plays a significant role in the capability of these materials to carry large electrical transport currents. Through proton irradiation induced defects we follow the evolution of the critical current density, and its enhancement with increasing point-like defects …

Transition Temperature For Weakly Interacting Homogeneous Bose Gases, Frederico F. De Souza Cruz, Marcus B. Pinto, Rudnei O. Ramos

Dartmouth Scholarship

We apply the nonperturbative optimized linear δ expansion method to the O(N) scalar field model in three dimensions to determine the transition temperature of a dilute homogeneous Bose gas. Our results show that the shift of the transition temperature ΔTc/Tc of the interacting model, compared with the ideal-gas transition temperature, really behaves as γan1/3 where a is the s-wave scattering length and n is the number density. For N=2 our calculations yield the value γ=3.059.

Phonon Modes In Inas Quantum Dots, Shang-Fen Ren, G Qin, Deyu Lu

Faculty publications – Physics

Phonon modes in spherical InAs quantum dots (QDs) with up to 11 855 atoms (about 8.5 nm in diameter) are calculated by using a valence force field model, and all the vibration frequencies and vibration amplitudes of the QDs are calculated directly from the lattice-dynamic matrix. The projection operators of the irreducible representations of the group theory are employed to reduce the computational intensity, which further allows us to investigate the quantum confinement effect of phonon modes with different symmetries. It is found that the size effects of phonon modes depend on the symmetry of the modes. For zinc-blende structure, …

Affinity For Scalar Fields To Dissipate, Arjun Berera, Rudnei O. Ramos

Dartmouth Scholarship

The zero-temperature effective equation of motion is derived for a scalar field interacting with other fields. For a broad range of cases, involving interaction with as few as one or two fields, dissipative regimes are found for the scalar field system. The zero-temperature limit constitutes a baseline effect that will be prevalent in any general statistical state. Thus, the results found here provide strong evidence that dissipation is the norm not the exception for an interacting scalar field system. For application to inflationary cosmology, this provides convincing evidence that warm inflation could be a natural dynamics once proper treatment of …

Particle Size Determination: An Undergraduate Lab In Mie Scattering, I. Weiner '01, M. Rust '01, Thomas D. Donnelly

All HMC Faculty Publications and Research

A technique for determining the size of microscopic spherical particles using light scattering is presented as an undergraduate physics lab. Scatterer size is determined from angular scattering distribution measurements of laser light scattered from a dilute suspension of latex spheres with diameters of 4.99±0.05 and 6.038±0.045 μm. Previous experiments of this type used approximate theoretical corrections and required the construction of specialized sample cells to minimize complicating effects. As a significant improvement to these, we generate angular scattering distributions from Mie theory and, using an accurate numerical procedure, correct these distributions for Snell’s law and foreshortening effects. Scatterer size …

A2bi8se1 3 (A = Rb, Cs), Csbi3.67se6, And Babi2< /Inf>Se4: New Ternary Semiconducting Bismuth Selenides, Lykourgis Iordanidis, Paul Brazis, Theodora Kyratsi, John Irel, Melissa Lane, Carl Kannewurf, Wei Chen, Jeffrey Dyck, Ctirad Uher, Nishant Ghelani, Tim Hogan, Mercouri Kanatzidis

Jeffrey Dyck

No abstract provided.

Simple Relationships For The Estimation Of Melting Temperatures Of Homologous Series, James S. Chickos, Gary Nichols

James Chickos

No abstract provided.

Perspectives Of Giant Magnetoresistance, Evgeny Y. Tsymbal, David G. Pettifor

Evgeny Tsymbal Publications

Giant magnetoresistance (GMR) is one of the most fascinating discoveries in thin-film magnetism, which combines both tremendous technological potential and deep fundamental physics. Within a decade of GMR being discovered in 1988 commercial devices based on this phenomenon, such as hard-disk read-heads, magnetic field sensors and magnetic memory chips, had become available in the market. These achievements would not have been possible without a detailed understanding of the physics of GMR, which requires a quantum-mechanical insight into the electronic spin-dependent transport in magnetic structures.

Time-Resolved Structural Study Of Low-Index Surfaces Of Germanium Near Its Bulk Melting Temperature, Xinglin Zeng, H. E. Elsayed-Ali

Electrical & Computer Engineering Faculty Publications

The structure of the low-index surfaces of germanium near its bulk melting temperature is investigated using 100-ps time-resolved reflection high-energy electron diffraction. The surface is heated by 100-ps laser pulses while a synchronized electron beam probes the structure. Ge(111)was observed to remain in its incomplete melting structure up to at least T_m + 134 ± 40 K when heated by a 100-ps laser pulse. Both the Ge(100) and Ge(110) surfaces are observed to melt near the bulk melting temperature when heated with 100-ps laser pulses. Because of the low-diffraction intensity-to-background ratio at high temperatures and because of the temperature …

The Influence Of Ni On The Transport Properties Of Cosb3, C. Uher, Jeffrey Dyck, W. Chen, G. Meisner, J. Yang

Jeffrey Dyck

The effect of Ni doping on the Co site of the binary skutterudite CoSb3 is investigated. We measured resistivity, Hall effect, magnetoresistance, thermopower, thermal conductivity, and magnetization of a series of samples of the form Co1-xNixSb3 with x in the range x=0 to x=0.01. We find that Ni takes the tetravalent state Ni4+, assumes the d6 electronic configuration for the lower energy non-bonding orbitals, and gives an electron to the conduction band. Ni doping dramatically suppresses the thermal conductivity, changes the temperature dependence of the thermopower, and increases the carrier concentration. Low temperature anomalies in thermopower, Hall coefficient and magnetoresistance …