Impurity modes in Frenkel exciton systems with dipolar interactions and cubic symmetry

2013 ◽  
Vol 138 (16) ◽  
pp. 164507 ◽  
Author(s):  
I. Avgin ◽  
D. L. Huber
Author(s):  
Wenwu Cao

Domain structures play a key role in determining the physical properties of ferroelectric materials. The formation of these ferroelectric domains and domain walls are determined by the intrinsic nonlinearity and the nonlocal coupling of the polarization. Analogous to soliton excitations, domain walls can have high mobility when the domain wall energy is high. The domain wall can be describes by a continuum theory owning to the long range nature of the dipole-dipole interactions in ferroelectrics. The simplest form for the Landau energy is the so called ϕ model which can be used to describe a second order phase transition from a cubic prototype,where Pi (i =1, 2, 3) are the components of polarization vector, α's are the linear and nonlinear dielectric constants. In order to take into account the nonlocal coupling, a gradient energy should be included, for cubic symmetry the gradient energy is given by,


1978 ◽  
Vol 3 ◽  
pp. 479-501 ◽  
Author(s):  
E. Du Trémolet de Lacheisserie ◽  
P. Morin ◽  
J. Rouchy

1985 ◽  
Vol 46 (C6) ◽  
pp. C6-283-C6-286
Author(s):  
A. Bradbury ◽  
S. Menear ◽  
R. W. Chantrell ◽  
K. O'Grady

2000 ◽  
Vol 653 ◽  
Author(s):  
Celeste Sagui ◽  
Thoma Darden

AbstractFixed and induced point dipoles have been implemented in the Ewald and Particle-Mesh Ewald (PME) formalisms. During molecular dynamics (MD) the induced dipoles can be propagated along with the atomic positions either by interation to self-consistency at each time step, or by a Car-Parrinello (CP) technique using an extended Lagrangian formalism. The use of PME for electrostatics of fixed charges and induced dipoles together with a CP treatment of dipole propagation in MD simulations leads to a cost overhead of only 33% above that of MD simulations using standard PME with fixed charges, allowing the study of polarizability in largemacromolecular systems.


2021 ◽  
Vol 126 (13) ◽  
Author(s):  
D. G. Suárez-Forero ◽  
F. Riminucci ◽  
V. Ardizzone ◽  
N. Karpowicz ◽  
E. Maggiolini ◽  
...  

2021 ◽  
Vol 60 (16) ◽  
pp. 9009-9014
Author(s):  
George Serghiou ◽  
Hans Josef Reichmann ◽  
Nicholas Odling ◽  
Kristina Spektor ◽  
Anna Pakhomova ◽  
...  
Keyword(s):  
Group Iv ◽  

2021 ◽  
Vol 47 (1) ◽  
pp. 7-13
Author(s):  
S. V. Gudina ◽  
A. S. Bogolubskiy ◽  
V. N. Neverov ◽  
K. V. Turutkin ◽  
N. G. Shelushinina ◽  
...  

1978 ◽  
Vol 11 (2) ◽  
pp. 241-244 ◽  
Author(s):  
N Chandralekha Devi ◽  
S N Behera

Sign in / Sign up

Export Citation Format

Share Document