phonon calculation
Recently Published Documents

TOTAL DOCUMENTS

21
(FIVE YEARS 0)

H-INDEX

8
(FIVE YEARS 0)
Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

scholarly journals First-Principles-Based Phonon Calculation and Raman Spectroscopy Measurement of RuGa2 and RuAl2 with High Thermoelectric Power Factors

2016 ◽  
Vol 57 (7) ◽  
pp. 1050-1054 ◽  
Author(s):  
Naoki Sato ◽  
Yoshiki Takagiwa ◽  
Akihide Kuwabara ◽  
Noriyuki Uchida ◽  
Kaoru Kimura
Keyword(s):  
Raman Spectroscopy ◽  
Thermoelectric Power ◽  
First Principles ◽  
Spectroscopy Measurement ◽  
Phonon Calculation

B112 A Modular LD-BTE Framework for Phonon Calculation on the LJ FCC Crystal

2012 ◽  
Vol 2012 (0) ◽  
pp. 35-36
Author(s):  
Yusuke Masao ◽  
Jain Ankit ◽  
Larkin Jason ◽  
McGaughey Alan J. H.
Keyword(s):  
Phonon Calculation

scholarly journals AtomSim: web-deployed atomistic dynamics simulator

2010 ◽  
Vol 43 (6) ◽  
pp. 1553-1559 ◽  
Author(s):  
J. Brandon Keith ◽  
Jacob R. Fennick ◽  
Daniel R. Nelson ◽  
Chad E. Junkermeier ◽  
Jiao Y. Y. Lin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Hafnium Dioxide ◽  
General Utility ◽  
Neutron Facility ◽  
Phonon Calculation

AtomSim, a collection of interfaces for computational crystallography simulations, has been developed. It uses forcefield-based dynamics through physics engines such as the General Utility Lattice Program, and can be integrated into larger computational frameworks such as the Virtual Neutron Facility for processing its dynamics into scattering functions, dynamical functionsetc. It is also available as a Google App Engine-hosted web-deployed interface. Examples of a quartz molecular dynamics run and a hafnium dioxide phonon calculation are presented.

Vibrational studies of hexagonal bronze systems: phonon calculation and high pressure induced phase transformation

2009 ◽  
Vol 40 (9) ◽  
pp. 1150-1157 ◽  
Author(s):  
J. Santos Coelho ◽  
W. Paraguassu ◽  
M. Maczka ◽  
A. G. Souza Filho ◽  
P.T.C. Freire ◽  
...  
Keyword(s):  
High Pressure ◽  
Phase Transformation ◽  
Vibrational Studies ◽  
Phonon Calculation

Phonon calculation on olivine-like LiMPO4 (M = Ni, Co, Fe) and Raman scattering of the iron-containing compound

2005 ◽  
Vol 36 (3) ◽  
pp. 213-220 ◽  
Author(s):  
W. Paraguassu ◽  
P. T. C. Freire ◽  
V. Lemos ◽  
S. M. Lala ◽  
L. A. Montoro ◽  
...  
Keyword(s):  
Raman Scattering ◽  
Phonon Calculation

Linear augmented-plane-wave frozen-phonon calculation, shell-model lattice dynamics, and specific-heat measurement of SnO

1999 ◽  
Vol 60 (21) ◽  
pp. 14496-14499 ◽  
Author(s):  
S. Koval ◽  
R. Burriel ◽  
M. G. Stachiotti ◽  
M. Castro ◽  
R. L. Migoni ◽  
...  
Keyword(s):  
Plane Wave ◽  
Specific Heat ◽  
Shell Model ◽  
Lattice Dynamics ◽  
Specific Heat Measurement ◽  
Heat Measurement ◽  
Augmented Plane Wave ◽  
Model Lattice ◽  
Phonon Calculation

THE STRUCTURE AND LATTICE DYNAMICS OF UNRECONSTRUCTED FCC (001) AND (111) METAL SURFACES

1994 ◽  
Vol 01 (01) ◽  
pp. 97-107 ◽  
Author(s):  
S.Y. TONG ◽  
Y. CHEN ◽  
K.P. BOHNEN ◽  
T. RODACH ◽  
K.M. HO
Keyword(s):  
Lattice Dynamics ◽  
Metal Surfaces ◽  
Vibrational Modes ◽  
Complete Understanding ◽  
Atom Scattering ◽  
New Information ◽  
Resolution Electron ◽  
Electron Energy Loss ◽  
Localized Vibrational Modes ◽  
Phonon Calculation

Progress in first-principles surface phonon calculation and multiple scattering phonon cross-section calculation has provided a more complete understanding of the localized vibrational modes on unreconstructed metal surfaces. A discussion of some of the new results is given focusing on how the new information resolves earlier difficulties in the interpretation of inelastic He-atom scattering (HAS) and high-resolution electron energy loss spectroscopy (EELS) data on these metal surfaces.

Modified self-consistent phonon calculation of the dependence of DNA melting temperature on guanine-cytosine content

1992 ◽  
Vol 46 (12) ◽  
pp. 8002-8006 ◽  
Author(s):  
Y. Feng ◽  
S. C. Tan
Keyword(s):  
Melting Temperature ◽  
Dna Melting ◽  
Self Consistent ◽  
Phonon Calculation
Load More ...
Sign in / Sign up

Export Citation Format

Share Document