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Full-Text Articles in Physical Sciences and Mathematics
Effect Of Strain On Charge Density Wave Order In The Holstein Model, Benjami Cohen-Stead, Natanael Costa, Ehsan Khatami, Richard Scalettar
Effect Of Strain On Charge Density Wave Order In The Holstein Model, Benjami Cohen-Stead, Natanael Costa, Ehsan Khatami, Richard Scalettar
Faculty Publications
We investigate charge ordering in the Holstein model in the presence of anisotropic hopping, tx,ty=1-δ,1+δ, as a model of the effect of strain on charge-density-wave (CDW) materials. Using quantum Monte Carlo simulations, we show that the CDW transition temperature is relatively insensitive to moderate anisotropy δ 0.3, but begins to decrease more rapidly at δ 0.4. However, the density correlations, as well as the kinetic energies parallel and perpendicular to the compressional axis, change significantly for moderate δ. Accompanying mean-field theory calculations show a similar qualitative structure, with the transition temperature relatively constant at small δ, and a more rapid …
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 …