Calculation of the optical phonons in ordered Ba2 MgWO6 perovskite using short-range force field model

2018 ◽  
Vol 49 (11) ◽  
pp. 1822-1829 ◽  
Author(s):  
J.E. Rodrigues ◽  
D.M. Bezerra ◽  
A.C. Hernandes
Keyword(s):  
Force Field ◽  
Short Range ◽  
Field Model ◽  
Optical Phonons ◽  
Short Range Force ◽  
Range Force

Lattice Vibrations of the Cooperites PdO and PtS

1989 ◽  
Vol 44 (3) ◽  
pp. 169-172 ◽  
Author(s):  
G. Kliche
Keyword(s):  
Force Field ◽  
Vibrational Spectra ◽  
Short Range ◽  
Lattice Vibration ◽  
Covalent Bonding ◽  
Lattice Vibrations ◽  
Vibration Frequencies ◽  
Short Range Force ◽  
Range Force ◽  
Good Agreement

The vibrational spectra of the cooperite type compounds PdO and PtS (space group P42/mmc - D4h9, Z = 2) are analyzed. Good agreement between experimental and calculated lattice vibration frequencies is obtained using a force field which includes short-range force constants only. This demonstrates a highly covalent bonding character of the cooperites.

Measuring the short-range force field above a single molecule with atomic resolution

2011 ◽  
Vol 99 (5) ◽  
pp. 053106 ◽  
Author(s):  
Fabian Mohn ◽  
Leo Gross ◽  
Gerhard Meyer
Keyword(s):  
Force Field ◽  
Single Molecule ◽  
Short Range ◽  
Atomic Resolution ◽  
Short Range Force ◽  
Range Force

scholarly journals Laboratory search for spin-dependent short-range force from axionlike particles using optically polarizedHe3gas

2013 ◽  
Vol 87 (1) ◽  
Author(s):  
P.-H. Chu ◽  
A. Dennis ◽  
C. B. Fu ◽  
H. Gao ◽  
R. Khatiwada ◽  
...  
Keyword(s):  
Short Range ◽  
Short Range Force ◽  
Range Force

LOCAL DIPOLE FIELD CONTRIBUTIONS TO BOND-STRETCHING SILICON–HYDROGEN VIBRATIONAL MODES ON FLAT AND VICINAL Si(111) SURFACES

1997 ◽  
Vol 04 (05) ◽  
pp. 891-896 ◽  
Author(s):  
H.-Y. YANG ◽  
G. LUCOVSKY
Keyword(s):  
Short Range ◽  
Vicinal Surfaces ◽  
Flat Surfaces ◽  
Coupled Mode ◽  
Dipole Interactions ◽  
Short Range Force ◽  
Bond Stretching ◽  
Hydrogenated Amorphous ◽  
Range Force ◽  
Better Than

Bond-stretching frequencies for bonded-H (and D) on flat and vicinal Si(111) surfaces have been calculated using a model that includes (i) short range valence forces and (ii) dynamic effects due to dipole–dipole interactions. Dipole–dipole interactions have been calculated exactly for flat surfaces, and for vicinal surfaces off-cut in the [Formula: see text] and [Formula: see text] directions terminated respectively by monohydride, Si–H, and dihydride, Si–H 2, bonding at the step edges. Using short range force constants and effective charges obtained from isolated Si–H and Si–H 2 stretching modes in hydrogenated amorphous Si, a-Si:H, as input parameters, the calculated coupled mode frequencies are in excellent agreement with experiment, i.e. using 5 empirical parameters, 16 frequencies in the range of 1500–2150 cm-1 are fit to better than 0.14%, or ±2–3 cm-1.

A New Isothermal Equation of State for Solids

2009 ◽  
Vol 64 (1-2) ◽  
pp. 54-58
Author(s):  
Quan Liu
Keyword(s):  
Equation Of State ◽  
Critical Analysis ◽  
Short Range ◽  
Rare Gas ◽  
Volume Data ◽  
Volume Dependence ◽  
Short Range Force ◽  
Good Accordance ◽  
Isothermal Equation ◽  
Range Force

A new isothermal equation of state (EOS) for solids is derived by starting from the theory of lattice potential and using an analytical function for the volume dependence of the short-range force constant. A critical analysis of the isothermal EOSs: Murnaghan EOS, Vinet EOS, and the new EOS derived here, is presented by investigating the pressure-volume data for rare gas solids, metals and minerals. It is found that the results obtained from the new EOS are in good accordance with the corresponding values obtained from the Vinet EOS and with experimental data for all the solids up to very large compressions. On the other hand, the Murnaghan EOS is less successful at high pressure in most cases.

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