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Full-Text Articles in Physics

Reliable First-Principles Alloy Thermodynamics Via Truncated Cluster Expansions, Nikolai A. Zarkevich, Duane D. Johnson Jun 2004

Reliable First-Principles Alloy Thermodynamics Via Truncated Cluster Expansions, Nikolai A. Zarkevich, Duane D. Johnson

Nikolai A. Zarkevich

In alloys cluster expansions (CE) are increasingly used to combine first-principles electronicstructure calculations and Monte Carlo methods to predict thermodynamic properties. As a basis-set expansion in terms of lattice geometrical clusters and effective cluster interactions, the CE is exact if infinite, but is tractable only if truncated. Yet until now a truncation procedure was not well defined and did not guarantee a reliable truncated CE. We present an optimal truncation procedure for CE basis sets that provides reliable thermodynamics. We then exemplify its importance in Ni3V, where the CE has failed unpredictably, and now show agreement to a range of …


Anisotropy Of Exchange Stiffness And Its Effect On The Properties Of Magnets, K. D. Belashchenko Apr 2004

Anisotropy Of Exchange Stiffness And Its Effect On The Properties Of Magnets, K. D. Belashchenko

Kirill Belashchenko Publications

Using the spin-spiral formulation of the tight-binding linear muffin-tin orbital method, the principal components of the exchange stiffness tensor are calculated for typical hard magnets including tetragonal CoPt-type and hexagonal YCo5 alloys. The exchange stiffness is strongly anisotropic in all studied alloys. This anisotropy makes the domain wall surface tension anisotropic. Competition between this anisotropic surface tension and magnetostatic energy controls the formation and dynamics of nanoscale domain structures in hard magnets. Anisotropic domain wall bending is described in detail from the general point of view and with application to cellular Sm–Co magnets. It is shown that the repulsive …


Tem Study Of Crystalline Structures Of Cr–N Thin Films, Xingzhong Li, J. Zhang, David J. Sellmyer Jan 2004

Tem Study Of Crystalline Structures Of Cr–N Thin Films, Xingzhong Li, J. Zhang, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

Cr–N films were grown on Si (001) substrates by reactive magnetron sputtering under an N2/Ar atmosphere at room temperature. The composition of the films, expressed as Cr1–xNx, can be varied by changing the N2/Ar pressure ratio during the synthesis process. Crystalline states of Cr–N films have been studied using electron diffraction. It is well known that two intermediate phases, Cr2N (hexagonal) and CrN (cubic), exist in the Cr–N system, and small variations around the ideal stoichiometry are tolerated. The present study shows that cubic CrN with vacancies rather than hexagonal Cr2 …


Spin Uncoupling In Free Nb Clusters: Support For Nascent Superconductivity, Ramiro Moro, Shuangye Yin, Xiaoshan Xu, Walt A. De Heer Jan 2004

Spin Uncoupling In Free Nb Clusters: Support For Nascent Superconductivity, Ramiro Moro, Shuangye Yin, Xiaoshan Xu, Walt A. De Heer

Xiaoshan Xu Papers

Molecular beam Stern-Gerlach deflection measurements on Nb clusters (NbN, N <100) show that at very low temperatures the odd-N clusters deflect due to a single unpaired spin that is uncoupled from the cluster. At higher temperatures the spin is coupled and no deflections are observed. Spin uncoupling occurs concurrently with the transition to the recently found ferroelectric state, which has superconductor characteristics [Science 300, 1265 (2003)]. Spin uncoupling (also seen in V, Ta, and Al clusters) is analogous to the reduction of spin-relaxation rates observed in bulk superconductors below Tc.


Giant Planar Hall Effect In Colossal Magnetoresistive La0.84sr0.16mno3 Thin Films, Y. Bason, L. Klein, J. -B. Yau, X. Hong, C. H. Ahn Jan 2004

Giant Planar Hall Effect In Colossal Magnetoresistive La0.84sr0.16mno3 Thin Films, Y. Bason, L. Klein, J. -B. Yau, X. Hong, C. H. Ahn

Xia Hong Publications

The transverse resistivity in thin films of La0.84Sr0.16MnO3 (LSMO) exhibits sharp field-symmetric jumps below TC . We show that a likely source of this behavior is the giant planar Hall effect combined with biaxial magnetic anisotropy. The effect is comparable in magnitude to that observed recently in the magnetic semiconductor Ga(Mn)As. It can be potentially used in applications such as magnetic sensors and nonvolatile memory devices.


Microscopic Analysis For Water Stressed By High Electric Fields In The Prebreakdown Regime, R. P. Joshi, J. Qian, K. H. Schoenbach, E. Schamiloglu Jan 2004

Microscopic Analysis For Water Stressed By High Electric Fields In The Prebreakdown Regime, R. P. Joshi, J. Qian, K. H. Schoenbach, E. Schamiloglu

Bioelectrics Publications

Analysis of the electrical double layer at the electrode-water interface for voltages close to the breakdown point has been carried out based on a static, Monte Carlo approach. It is shown that strong dipole realignment, ion-ion correlation, and finite-size effects can greatly modify the electric fields and local permittivity (hence, leading to optical structure) at the electrode interface. Dramatic enhancements of Schottky injection, providing a source for electronic controlled breakdown, are possible. It is also shown that large pressures associated with the Maxwell stress tensor would be created at the electrode boundaries. Our results depend on the ionic density, and …


Electronic Speckle Pattern Shearing Interferometry Using Photopolymer Diffractive Optical Elements For Vibration Measurements, Emilia Mihaylova, Izabela Naydenova, Suzanne Martin, Vincent Toal Jan 2004

Electronic Speckle Pattern Shearing Interferometry Using Photopolymer Diffractive Optical Elements For Vibration Measurements, Emilia Mihaylova, Izabela Naydenova, Suzanne Martin, Vincent Toal

Conference Papers

Electronic speckle pattern shearing interferometry (ESPSI) is superior to Electronic speckle pattern interferometry (ESPI) when strain distribution, arising from object deformation or vibration, need to be measured. This is because shearography provides data directly related to the spatial derivatives of the displacement. Further development of ESPSI systems could be beneficial for wider application to the measurement of mechanical characteristics of vibrating objects. Two electronic speckle pattern shearing interferometers (ESPSI) suitable for vibration measurements are presented. In both ESPSI systems photopolymer holographic gratings are used to shear the images and to control the size of the shear. The holographic gratings are …


Synthesis, Crystal Structure And Thermoelectric Properties Of Β-K2bi8se13 Solid Solutions, Theodora Kyratsi, Duck-Young Chung, Jeff Dyck, Ctirad Uher, Sangeeta Lal, Sim Loo, Tim Hogan, John Ireland, Carl Kannewurf, Evripides Hatzikraniotis, Konstantinos Paraskevopoulos, Mercouri Kanatzidis Dec 2003

Synthesis, Crystal Structure And Thermoelectric Properties Of Β-K2bi8se13 Solid Solutions, Theodora Kyratsi, Duck-Young Chung, Jeff Dyck, Ctirad Uher, Sangeeta Lal, Sim Loo, Tim Hogan, John Ireland, Carl Kannewurf, Evripides Hatzikraniotis, Konstantinos Paraskevopoulos, Mercouri Kanatzidis

Jeffrey Dyck

Solid solution series of the type K2Bi8-xSbxSe13, K2-xRbxBi8Se13 as well as K2Bi8Se13-xSx were prepared and the distribution of the atoms (Bi/Sb, K/Rb and Se/S) on different crystallographic sites, the band gaps and their thermoelectric properties were studied. The distribution Se/S appears to be more uniform than the distribution of the Sb and Rb atoms in the β-K2Bi8Se13 structure that shows preference in specific sites in the lattice. Band gap is mainly affected by Sb and S substitution. Seebeck coefficient measurements showed n-type character for of all Se/S members. In the Bi/Sb series an enhancement of p-type character was observed. The …