Lattice Dynamics of a Linear Chain Model of an Imperfect Molecular Crystal

1970 ◽  
Vol 52 (1) ◽  
pp. 64-66 ◽  
Author(s):  
R. W. Munn
Keyword(s):  
Lattice Dynamics ◽  
Molecular Crystal ◽  
Linear Chain ◽  
Chain Model

Analysis of ultrafast X-ray diffraction data in a linear-chain model of the lattice dynamics

2011 ◽  
Vol 106 (3) ◽  
pp. 489-499 ◽  
Author(s):  
M. Herzog ◽  
D. Schick ◽  
P. Gaal ◽  
R. Shayduk ◽  
C. Korff Schmising ◽  
...  
Keyword(s):  
Diffraction Data ◽  
Lattice Dynamics ◽  
Linear Chain ◽  
Chain Model ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals Lattice Dynamics of Incommensurate Composite Rb-IV and a Realization of the Monatomic Linear Chain Model

2007 ◽  
Vol 99 (3) ◽  
Author(s):  
I. Loa ◽  
L. F. Lundegaard ◽  
M. I. McMahon ◽  
S. R. Evans ◽  
A. Bossak ◽  
...  
Keyword(s):  
Lattice Dynamics ◽  
Linear Chain ◽  
Chain Model

Linear-chain-model interpretation of resonant Raman scattering inGenSimmicrostructures

1996 ◽  
Vol 53 (23) ◽  
pp. 15871-15877 ◽  
Author(s):  
M. A. Araújo Silva ◽  
E. Ribeiro ◽  
P. A. Schulz ◽  
F. Cerdeira ◽  
J. C. Bean
Keyword(s):  
Raman Scattering ◽  
Linear Chain ◽  
Chain Model ◽  
Model Interpretation ◽  
Resonant Raman ◽  
Resonant Raman Scattering

A cyanide-bridged FeIII–MnII heterobimetallic one-dimensional coordination polymer: synthesis, crystal structure, experimental and theoretical magnetism investigation

2019 ◽  
Vol 75 (11) ◽  
pp. 1475-1481 ◽  
Author(s):  
Wenlong Lan ◽  
Zhen Zhou ◽  
Jie Li ◽  
Yong Dou ◽  
Xiaoyun Hao ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Single Crystal ◽  
Density Functional ◽  
Linear Chain ◽  
Coupling Constants ◽  
Antiferromagnetic Coupling ◽  
Chain Model ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray

A new cyanide-bridged FeIII–MnII heterobimetallic coordination polymer (CP), namely catena-poly[[[N,N′-(1,2-phenylene)bis(pyridine-2-carboxamidato)-κ4 N,N′,N′′,N′′′]iron(III)]-μ-cyanido-κ2 C:N-[bis(4,4′-bipyridine-κN)bis(methanol-κO)manganese(II)]-μ-cyanido-κ2 N:C], {[FeMn(C18H12N4O2)(CN)2(C10H8N2)2(CH3OH)2]ClO4} n , (1), was prepared by the self-assembly of the trans-dicyanidoiron(III)-containing building block [Fe(bpb)(CN)2]− [bpb2− = N,N′-(1,2-phenylene)bis(pyridine-2-carboxamidate)], [Mn(ClO4)2]·6H2O and 4,4′-bipyridine, and was structurally characterized by elemental analysis, IR spectroscopy, single-crystal X-ray crystallography and powder X-ray diffraction (PXRD). Single-crystal X-ray diffraction analysis shows that CP 1 possesses a cationic linear chain structure consisting of alternating cyanide-bridged Fe–Mn units, with free perchlorate as the charge-balancing anion, which can be further extended into a two-dimensional supramolecular sheet structure via inter-chain π–π interactions between the 4,4′-bipyridine ligands. Within the chain, each MnII ion is six-coordinated by an N6 unit and is involved in a slightly distorted octahedral coordination geometry. Investigation of the magnetic properties of 1 reveals an antiferromagnetic coupling between the cyanide-bridged FeIII and MnII ions. A best fit of the magnetic susceptibility based on the one-dimensional alternating chain model leads to the magnetic coupling constants J 1 = −1.35 and J 2 = −1.05 cm−1, and the antiferromagnetic coupling was further confirmed by spin Hamiltonian-based density functional theoretical (DFT) calculations.

Interface Effects on the Raman Spectra of Si/3C-SiC Superlattices

2000 ◽  
Vol 640 ◽  
Author(s):  
E. F. Bezerra ◽  
A. G. Souza Filho ◽  
J. Mendes Filho ◽  
V. Lemos ◽  
V. N. Freire ◽  
...  
Keyword(s):  
Raman Spectra ◽  
Theoretical Calculations ◽  
Linear Chain ◽  
Dispersion Relations ◽  
Chain Model ◽  
Virtual Crystal Approximation ◽  
Smooth Interface ◽  
Bond Polarizability ◽  
Interface Effects

ABSTRACTTheoretical calculations are performed on the role of smooth interfaces in the Raman spectra of Si/3C-SiC superlattices. The dispersion relations were obtained using a linear chain model with the alloyed interface δ-(3C-SiC)0.5(Si)0.5 described in the virtual crystal approximation. A modified bond-polarizability model was used to calculate the Raman spectra. The main results are the enhancement of the Raman spectra and the appearance of new peaks in between those related to the Si quasi confined and the 3C-SiC-confined modes with increasing number δ?of interfacial monolayers (3C-SiC)0.5(Si)0.5. Some of the smooth interface related Raman peaks have intensity comparable with those of an abrupt Si/3C-SiC superlattice.

Complex force-constant dependence of elastic constants

1990 ◽  
Vol 68 (1) ◽  
pp. 14-22 ◽  
Author(s):  
H. A. Rafizadeh
Keyword(s):  
Elastic Constant ◽  
Force Constant ◽  
Elastic Constants ◽  
Theoretical Calculations ◽  
Linear Chain ◽  
Chain Model ◽  
Crystalline Solids ◽  
Young’S Moduli ◽  
Complex Functions ◽  
Two Parameter

Expressions for the inner and bare components of the elastic constants of crystalline solids are derived. The inner elastic constants are complex functions of the force constants and vanish only for centrosymmetric solids. Using a linear-chain model, the force-constant dependence of inner, bare, and total elastic constants is studied. The linear-chain model is also utilized in derivation of composition-dependent elastic constant equations. Single-parameter and two-parameter theoretical calculations are compared with the experimental composition-dependent Young's moduli of a number of metal–metalloid glasses.

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