Bond‐bending‐force shell model for phonons in diatomic cubic crystals

1984 ◽  
Vol 81 (4) ◽  
pp. 2028-2038 ◽  
Author(s):  
Manvir Singh Kushwaha
Keyword(s):  
Shell Model ◽  
Cubic Crystals ◽  
Bending Force ◽  
Bond Bending

Lattice dynamics of ZnTe, CdTe, GaP, and InP

1980 ◽  
Vol 58 (3) ◽  
pp. 351-358 ◽  
Author(s):  
M. S. Kushwaha ◽  
S. S. Kushwaha
Keyword(s):  
Lattice Dynamics ◽  
Present Model ◽  
Phonon Dispersion ◽  
Model Parameters ◽  
Force Model ◽  
Phonon Dispersion Curves ◽  
Bending Force ◽  
Zinc Blende ◽  
Bond Bending ◽  
Good Agreement

An eight-parameter bond-bending force model (BBFM), recently developed by us for zinc-blende (ZB) structure, has been used to study the lattice dynamics of other compounds of the II–VI and III–V groups. The model parameters were calculated using six critical point phonon frequencies, two elastic constants, and the lattice equilibrium condition. Phonon dispersion curves, phonon density of states, and Debye-characteristic temperatures have been calculated. The comparison of theoretical and the available experimental results reveals a fairly good agreement. The merits and demerits of the present model have been discussed in full.

Vibrational, mechanical and thermodynamical properties of RE2Ti2O7 (RE = Sm, Gd, Dy, Ho, Er and Yb) pyrochlores

2017 ◽  
Vol 31 (21) ◽  
pp. 1750145
Author(s):  
A. K. Kushwaha
Keyword(s):  
Bond Strength ◽  
Bulk Modulus ◽  
Force Constant ◽  
Present Calculation ◽  
Neighbor Interaction ◽  
Thermodynamical Properties ◽  
Bending Force ◽  
Young’S Moduli ◽  
Bond Bending ◽  
The One

Vibrational, mechanical, thermodynamical properties and thermal conductivities of RE2Ti2O7 (RE = Sm, Gd, Dy, Ho, Er and Yb) pyrochlores have been calculated using a proposed eight-parameter bond-bending force constant model. The main outcome of present calculation is that the first neighbor interaction (Ti–O) is stronger than the second neighbor interactions (RE–O). This means that the bonding between Ti and O is more ionic than the one between RE and O. It is also found that the bond strength of RE–O and the bulk modulus decrease in the sequence Sm [Formula: see text] Gd [Formula: see text] Dy [Formula: see text] Ho [Formula: see text] Er [Formula: see text] Yb. The bulk moduli and Young’s moduli of RE2Ti2O7 also decrease when RE changes from Sm to Yb.

Measurement of the Displacement Across a Coincidence Grain Boundary

1977 ◽  
Vol 35 ◽  
pp. 124-125
Author(s):  
J. W. Matthews ◽  
W. M. Stobbs
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Stacking Fault ◽  
The Other ◽  
Measuring Technique ◽  
High Angle ◽  
Twin Boundaries ◽  
Rigid Displacement ◽  
Cubic Crystals ◽  
Lattice Displacement

Many high-angle grain boundaries in cubic crystals are thought to be either coincidence boundaries (1) or coincidence boundaries to which grain boundary dislocations have been added (1,2). Calculations of the arrangement of atoms inside coincidence boundaries suggest that the coincidence lattice will usually not be continuous across a coincidence boundary (3). There will usually be a rigid displacement of the lattice on one side of the boundary relative to that on the other. This displacement gives rise to a stacking fault in the coincidence lattice.Recently, Pond (4) and Smith (5) have measured the lattice displacement at coincidence boundaries in aluminum. We have developed (6) an alternative to the measuring technique used by them, and have used it to find two of the three components of the displacement at {112} lateral twin boundaries in gold. This paper describes our method and presents a brief account of the results we have obtained.

Microtwinning Evidence For The Apparent Five-Fold Symmetry in T2(Al6Li3Cu)

1987 ◽  
Vol 45 ◽  
pp. 24-25
Author(s):  
Kenneth S. Vecchio ◽  
David B. Williams
Keyword(s):  
Stable Equilibrium ◽  
Equilibrium Phase ◽  
Convergent Beam Electron Diffraction ◽  
Icosahedral Structure ◽  
Cubic Crystals ◽  
Icosahedral Phases ◽  
Heat Treated ◽  
Zero Layer ◽  
Convergent Beam ◽  
Zr Alloy

Since the discovery in 1984 by Shechtman et al. of crystals which display apparent five-fold symmetry, extensive effort has been given to establishing a theoretical basis for the existence of icosahedral phases (eg.2.). Several other investigations have been centered on explaining these observations based on twinning of cubic crystals (eg.3.). Recently, the existence of a stable, equilibrium phase T2Al6 Li3Cu) possessing an icosahedral structure has been reported in the Al-Li-Cu system(4-6).In the present study an Al-2.6wt.%Li-l.5wt.%Cu-0.lwt.%Zr alloy was heat treated at 300°C for 100hrs. to produce large T2 precipitates. Convergent Beam Electron Diffraction (CBED) patterns were obtained from two-fold, three-fold, and apparent five-fold axes of T2 particles. Figure 1 shows the five-fold symmetric zero layer CBED pattern obtained from T2 particles.

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