scholarly journals Frustration, ring exchange, and the absence of long-range order in EtMe3Sb[Pd(dmit)2]2 : From first principles to many-body theory

2020 ◽  
Vol 4 (4) ◽  
Author(s):  
E. P. Kenny ◽  
G. David ◽  
N. Ferré ◽  
A. C. Jacko ◽  
B. J. Powell
Keyword(s):  
Long Range ◽  
First Principles ◽  
Range Order ◽  
Long Range Order ◽  
Many Body ◽  
Many Body Theory ◽  
Ring Exchange ◽  
Body Theory

scholarly journals Unusual Force Constants Guided Distortion-Triggered Loss of Long-Range Order in Phase Change Materials

Materials ◽  
2021 ◽  
Vol 14 (13) ◽  
pp. 3514
Author(s):  
Jiong Wang ◽  
Dongyu Cui ◽  
Yi Kong ◽  
Luming Shen
Keyword(s):  
Phase Change ◽  
Long Range ◽  
First Principles ◽  
Phase Change Materials ◽  
Nearest Neighbor ◽  
Range Order ◽  
Force Constants ◽  
Long Range Order ◽  
Dynamic Simulations ◽  
Functional Components

Unusual force constants originating from the local charge distribution in crystalline GeTe and Sb2Te3 are observed by using the first-principles calculations. The calculated stretching force constants of the second nearest-neighbor Sb-Te and Ge-Te bonds are 0.372 and −0.085 eV/Å2, respectively, which are much lower than 1.933 eV/Å2 of the first nearest-neighbor bonds although their lengths are only 0.17 Å and 0.33 Å longer as compared to the corresponding first nearest-neighbor bonds. Moreover, the bending force constants of the first and second nearest-neighbor Ge-Ge and Sb-Sb bonds exhibit large negative values. Our first-principles molecular dynamic simulations also reveal the possible amorphization of Sb2Te3 through local distortions of the bonds with weak and strong force constants, while the crystalline structure remains by the X-ray diffraction simulation. By identifying the low or negative force constants, these weak atomic interactions are found to be responsible for triggering the collapse of the long-range order. This finding can be utilized to guide the design of functional components and devices based on phase change materials with lower energy consumption.

scholarly journals Chiral self-sorting of active semiflexible filaments with intrinsic curvature

Soft Matter ◽  
2021 ◽  
Author(s):  
Jeffrey M Moore ◽  
Matthew Glaser ◽  
Meredith D. Betterton
Keyword(s):  
Long Range ◽  
Self Assembly ◽  
Range Order ◽  
The Self ◽  
Long Range Order ◽  
Active Matter ◽  
Many Body ◽  
Intrinsic Curvature ◽  
Dynamic Structures ◽  
Many Body Interactions

Many-body interactions in systems of active matter can cause particles to move collectively and self-organize into dynamic structures with long-range order. In cells, the self-assembly of cy- toskeletal filaments is...

First-principles many-body theory for ultra-cold atoms

2010 ◽  
Author(s):  
Peter D. Drummond ◽  
Hui Hu ◽  
Xia-Ji Liu ◽  
J. G. Hartnett ◽  
P. C. Abbott
Keyword(s):  
First Principles ◽  
Cold Atoms ◽  
Many Body ◽  
Many Body Theory ◽  
Body Theory

scholarly journals Off-diagonal long-range order in a one-dimensional many-body problem

2000 ◽  
Vol 267 (5-6) ◽  
pp. 293-297 ◽  
Author(s):  
Guy Auberson ◽  
Sudhir R Jain ◽  
Avinash Khare
Keyword(s):  
Long Range ◽  
Body Problem ◽  
Range Order ◽  
Long Range Order ◽  
Many Body ◽  
One Dimensional
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