skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Phonon anharmonicity of rutile TiO2 studied by Raman spectrometry and molecular dynamics simulations

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics

Sponsoring Organization:
USDOE
OSTI ID:
1098589
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Vol. 85 Journal Issue: 9; ISSN 1098-0121
Publisher:
American Physical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 97 works
Citation information provided by
Web of Science

References (51)

Raman spectra of titanium dioxide journal May 1982
Temperature Dependence of the Linewidth of the First-Order Raman Spectra for CaWO 4 Crystal journal June 1997
Transferable variable-charge interatomic potential for atomistic simulation of titanium oxides journal September 2000
A tight-binding molecular dynamics study of phonon anharmonic effects in diamond and graphite journal August 1997
Temperature dependence of Raman scattering and anharmonicity study of MgF 2 journal January 1999
Temperature dependence of the linewidth of the first-order Raman spectrum of a MgF 2 crystal journal December 1992
Heat capacities and thermodynamic functions of TiO2 anatase and rutile: Analysis of phase stability journal February 2009
Defect Chemistry of Titanium Dioxide. Application of Defect Engineering in Processing of TiO 2 -Based Photocatalysts journal March 2008
Phase transitions and Raman spectra of anatase and rutile at high pressures and room temperature [Phase transitions and Raman spectra of anatase and rutile at high pressures and room temperature] journal February 1992
Vibrational thermodynamics of materials journal May 2010
Scattering of Neutrons by an Anharmonic Crystal journal December 1962
The advancements in sol–gel method of doped-TiO2 photocatalysts journal February 2010
Two Pathways for Water Interaction with Oxygen Adatoms on TiO 2 ( 110 ) journal March 2009
Uniaxial-Stress Dependence of the Raman-Active Phonons in Ti O 2 journal December 1973
Anharmonic Decay of Optical Phonons journal August 1966
The surface science of titanium dioxide journal January 2003
Elasticity of TiO 2 rutile to 1800 K journal November 1998
Tight-binding molecular-dynamics study of phonon anharmonic effects in silicon and diamond journal December 1990
Negative thermal expansion journal January 2005
Calculation of dielectric susceptibility for complex ionic systems: Application to a predicted superlattice journal August 1989
Size effects and nanostructured materials for energy applications journal January 2008
Raman study of phonon anharmonicity in LaF 3 journal December 1985
Temperature Dependence of Rutile (TiO2) and Geikielite (MgTiO3) Structures Determined Using Neutron Powder Diffraction journal April 2009
Thermo-Raman studies on anatase and rutile journal February 1998
Anharmonic effects in light scattering due to optical phonons in silicon journal August 1983
Raman Spectra of Ti O 2 , Mg F 2 , Zn F 2 , Fe F 2 , and Mn F 2 journal February 1967
Pressure-induced instabilities in bulk TiO 2 rutile journal January 2004
Structural-electronic relationships in inorganic solids: powder neutron diffraction studies of the rutile and anatase polymorphs of titanium dioxide at 15 and 295 K journal June 1987
B 1 g mode softening in Fe F 2 journal August 1983
Uniaxial-stress dependence of the first-order Raman spectrum of rutile. I. Experiments journal February 1980
Photocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected Results journal May 1995
Predicting phonon dispersion relations and lifetimes from the spectral energy density journal February 2010
The General Utility Lattice Program ( GULP ) journal May 2003
A spectral analysis method of obtaining molecular spectra from classical trajectories journal July 1977
A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 films journal October 1991
Thermal expansion of polymers: Mechanisms in orthorhombic polyethylene journal October 1998
Raman scattering study on anatase TiO 2 nanocrystals journal March 2000
Molecular Dynamics Simulation of the Structural and Physical Properties of the Four Polymorphs of TiO 2 journal May 1991
Ionic potential models in insulators having the rutile structure journal November 1985
Pressure and Temperature Dependences of the Raman-Active Phonons in Sn O 2 journal March 1973
Soft modes in strained and unstrained rutile TiO 2 journal April 2010
Pressure and Temperature Dependence of the Static Dielectric Constants and Raman Spectra of Ti O 2 (Rutile) journal February 1973
Raman spectrometry study of phonon anharmonicity of hafnia at elevated temperatures journal August 2009
Inelastic neutron scattering and lattice dynamical calculation of negative thermal expansion compounds Cu 2 O and Ag 2 O journal May 2007
Temperature Dependence of the Width of the Fundamental Lattice-Vibration Absorption Peak in Ionic Crystals. II. Approximate Numerical Results journal March 1967
Nano-TiO2 induced secondary structural transition of silk fibroin studied by two-dimensional Fourier-transform infrared correlation spectroscopy and Raman spectroscopy journal January 2007
Anharmonicity-induced phonon broadening in aluminum at high temperatures journal November 2010
Uniaxial-stress dependence of the first-order Raman spectrum of rutile-type crystals. III. Mg F 2 journal August 1981
Atomistic Study of a CaTiO3-Based Mixed Conductor: Defects, Nanoscale Clusters, and Oxide-Ion Migration journal April 2007
Raman spectrum of rutile (TiO2) journal October 1950
Temperature dependence of the first-order Raman scattering by phonons in Si, Ge, and α S n : Anharmonic effects journal February 1984

Similar Records

Phonon anharmonicity of rutile SnO2 studied by Raman spectrometry and first principles calculations of the kinematics of phonon-phonon interactions
Journal Article · Thu Oct 11 00:00:00 EDT 2012 · Physical Review. B, Condensed Matter and Materials Physics · OSTI ID:1098589

RAMAN SPECTRUM OF RUTILE (TiO$sub 2$)
Journal Article · Sun Oct 01 00:00:00 EST 1950 · Proc. Indian Acad. Sci. · OSTI ID:1098589

Molecular beam epitaxial growth and characterization of mixed (Ti,Nb)O{sub 2} rutile films on TiO{sub 2}(100)
Journal Article · Wed May 01 00:00:00 EDT 1996 · Journal of Vacuum Science and Technology, A · OSTI ID:1098589

Related Subjects