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Articles 1 - 8 of 8
Full-Text Articles in Physics
Origins Of Nonstoichiometry And Vacancy Ordering In Sc1-X□Xs, Gus L. W. Hart, Alex Zunger
Origins Of Nonstoichiometry And Vacancy Ordering In Sc1-X□Xs, Gus L. W. Hart, Alex Zunger
Faculty Publications
Whereas nearly all compounds AnBm obey Dalton's rule of integer stoichiometry (n:m, both integer), there is a class of systems, exemplified by the rocksalt structure Sc1-x□xS, that exhibits large deviations from stoichiometry via vacancies, even at low temperatures. By combining first-principles total energy calculations with lattice statistical mechanics, we scan an astronomical number of possible structures, identifying the stable ground states. Surprisingly, all have the same motifs: (111) planes with (112) vacancy rows arranged in (110) columns. Electronic structure calculations of the ground states (identified out of ~3 × 10^6 structures) reveal the remarkable origins of nonstoichiometry.
Statistics And Supermetallicity: The Metallicity Of Mu Leonis, B. J. Taylor
Statistics And Supermetallicity: The Metallicity Of Mu Leonis, B. J. Taylor
Faculty Publications
For the often-studied "SMR" giant µ Leo, Smith & Ruck (2000) have recently found that [Fe/H] approximately + 0.3 dex. Their conclusion is tested here in a "statistical" paradigm, in which statistical principles are used to select published high-dispersion µ Leo data and assign error bars to them. When data from Smith & Ruck and from Takeda et al. (1998) are added to a data base compiled in 1999, it is found that conclusions from an earlier analysis (Taylor 1999c) are essentially unchanged: the mean value of [Fe/H] approximately + 0.23 ± 0.025 dex, and values ≤ + 0.2 dex …
Chemical Bonding, Elasticity, And Valence Force Field Models: A Case Study For Α-Pt2si And Ptsi, Gus L. W. Hart, J. E. Klepeis, O. Beckstein, O. Pankratov
Chemical Bonding, Elasticity, And Valence Force Field Models: A Case Study For Α-Pt2si And Ptsi, Gus L. W. Hart, J. E. Klepeis, O. Beckstein, O. Pankratov
Faculty Publications
We have carried out a detailed study of the chemical bonding for two room-temperature stable platinum silicide phases, tetragonal α-Pt2Si. These elements of the bonding are further analyzed by constructing valence force field models using the results from recent first principles calculations of the six (nine) independent, nonzero elastic constants of α-Pt2Si (PtSi). The resulting volume-, radial-, and angular-dependent force constants provide insight into the relative strength of various bonding elements as well as the trends observed in the elastic constants themselves. The valence force field analysis yields quantitative information about the nature of the chemical bonding that is not …
Poynting's Theorem And Luminal Total Energy Transport In Passive Dielectric Media, Scott Glasgow, Michael Ware, Justin Peatross
Poynting's Theorem And Luminal Total Energy Transport In Passive Dielectric Media, Scott Glasgow, Michael Ware, Justin Peatross
Faculty Publications
Without approximation the energy density in Poynting's theorem for the generally dispersive and passive dielectric medium is demonstrated to be a system total dynamical energy density. Thus the density in Poynting's theorem is a conserved form that by virtue of its positive definiteness prescribes important qualitative and quantitative features of the medium-field dynamics by rendering the system dynamically closed. This fully three-dimensional result, applicable to anisotropic and inhomogeneous media, is model independent, relying solely on the complex-analytic consequences of causality and passivity. As direct applications of this result, we show 1 that a causal medium responds to a virtual, instantaneous …
Statistics And Supermetallicity: The Metallicity Of Ngc 6791, B. J. Taylor
Statistics And Supermetallicity: The Metallicity Of Ngc 6791, B. J. Taylor
Faculty Publications
For the old galactic cluster NGC 6791, Peterson & Green (1998a) and Chaboyer et al. (1999) have found that [Fe/H] approximately + 0.4 dex. A second look at that conclusion is taken in this paper. Zero-point problems are reviewed for a high-dispersion analysis done by Peterson & Green, and it is found that accidental errors have not been determined rigorously for the results of that analysis. It is also noted that in a color-magnitude analysis performed by Chaboyer et al., the important metallicity range between 0.0 and + 0.3 dex is not explored and hence is not ruled out. Moreover, …
Formation Of Rydberg Atoms In An Expanding Ultracold Neutral Plasma, Scott D. Bergeson, T. C. Killian, M. J. Lim, S. Kulin, R. Dumke, S. L. Rolston
Formation Of Rydberg Atoms In An Expanding Ultracold Neutral Plasma, Scott D. Bergeson, T. C. Killian, M. J. Lim, S. Kulin, R. Dumke, S. L. Rolston
Faculty Publications
We study the formation of Rydberg atoms in expanding plasmas at temperatures of 1–1000 K and densities from 10^5–10^10 cm^-3. Up to 20% of the initially free charges recombine in about 100 us, and the binding energy of the Rydberg atoms approximately equals the increase in the kinetic energy of the remaining free electrons. Three-body recombination is expected to dominate in this regime, yet most of our results are inconsistent with this mechanism.
What Determines The Emission Peak Energy Of The Blue Luminescence In Highly Mg-Doped P-Gan?, John S. Colton, P. Y. Yu
What Determines The Emission Peak Energy Of The Blue Luminescence In Highly Mg-Doped P-Gan?, John S. Colton, P. Y. Yu
Faculty Publications
We report a study of the 2.8 eV blue luminescence (BL) in heaviliy Mg-doped p-GaN via resonant excitation with a tunable blue dye laser. The dependence of the BL on the excitation photon energy (Eex) is unlike that of the yellow luminescence found in n-type GaN. An Urbach-type band tail, with Urbach parameter of 33 meV is observed in the vicinity of the BL energy. We propose that the peak energy of the BL marks the transition from localized states to delocalized states within this band tail.
First-Principles Elastic Constants And Electronic Structure Of Α-Pt2si And Ptsi, Gus L. W. Hart, O. Beckstein, J. E. Klepeis, O. Pankratov
First-Principles Elastic Constants And Electronic Structure Of Α-Pt2si And Ptsi, Gus L. W. Hart, O. Beckstein, J. E. Klepeis, O. Pankratov
Faculty Publications
We have carried out a first-principles study of the elastic properties and electronic structure for two room-temperature stable Pt silicide phases, tetragonal α-Pt2Si, and orthorhomic PtSi. We have calculated all of the equilibrium structural parameters for both phases; the a and c lattice constants for α-Pt2Si and the a, b, and c lattice constants and four internal structural parameters for PtSi. These results agree closely with experimental data. We have also calculated the zero-pressure elastic constants, confirming prior results for pure Pt and Si and predicting values for the six (nine) independent, nonzero elastic constants of α-Pt2Si (PtSi). These calculations …