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

Lan, Tian; Tang, Xiaoli; Fultz, Brent

doi:10.1103/PhysRevB.85.094305

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

Authors:: Lan, Tian; Tang, Xiaoli; Fultz, Brent

Publication Date:: Tue Mar 27 00:00:00 EDT 2012

Sponsoring Org.:: USDOE

OSTI Identifier:: 1098589

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Volume: 85 Journal Issue: 9; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Lan, Tian, Tang, Xiaoli, and Fultz, Brent. Phonon anharmonicity of rutile TiO2 studied by Raman spectrometry and molecular dynamics simulations.  United States: N. p., 2012. 
Web.  doi:10.1103/PhysRevB.85.094305.

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                    Lan, Tian, Tang, Xiaoli, & Fultz, Brent. Phonon anharmonicity of rutile TiO2 studied by Raman spectrometry and molecular dynamics simulations.  United States.  https://doi.org/10.1103/PhysRevB.85.094305

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                    Lan, Tian, Tang, Xiaoli, and Fultz, Brent. Tue .  
"Phonon anharmonicity of rutile TiO2 studied by Raman spectrometry and molecular dynamics simulations".  United States.  https://doi.org/10.1103/PhysRevB.85.094305.

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@article{osti_1098589,

  title        = {Phonon anharmonicity of rutile TiO2 studied by Raman spectrometry and molecular dynamics simulations},

  author       = {Lan, Tian and Tang, Xiaoli and Fultz, Brent},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.85.094305},

  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  number       = 9,

  volume       = 85,

  place        = {United States},

  year         = {Tue Mar 27 00:00:00 EDT 2012},

  month        = {Tue Mar 27 00:00:00 EDT 2012}

}

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Works referenced in this record:

Raman spectra of titanium dioxide
journal, May 1982

Balachandran, U.; Eror, N. G.
Journal of Solid State Chemistry, Vol. 42, Issue 3
DOI: 10.1016/0022-4596(82)90006-8

Temperature Dependence of the Linewidth of the First-Order Raman Spectra for CaWO ₄ Crystal
journal, June 1997

Suda, Jun; Sato, Tsutomu
Journal of the Physical Society of Japan, Vol. 66, Issue 6
DOI: 10.1143/JPSJ.66.1707

Transferable variable-charge interatomic potential for atomistic simulation of titanium oxides
journal, September 2000

Swamy, Varghese; Gale, Julian D.
Physical Review B, Vol. 62, Issue 9
DOI: 10.1103/PhysRevB.62.5406

A tight-binding molecular dynamics study of phonon anharmonic effects in diamond and graphite
journal, August 1997

Kopidakis, G.; Wang, C. Z.; Soukoulis, C. M.
Journal of Physics: Condensed Matter, Vol. 9, Issue 33
DOI: 10.1088/0953-8984/9/33/009

Temperature dependence of Raman scattering and anharmonicity study of ${MgF}_{2}$
journal, January 1999

Perakis, A.; Sarantopoulou, E.; Raptis, Y. S.
Physical Review B, Vol. 59, Issue 2
DOI: 10.1103/PhysRevB.59.775

Temperature dependence of the linewidth of the first-order Raman spectrum of a ${MgF}_{2}$ crystal
journal, December 1992

Nishidate, Kazume; Sato, Tsutomu
Physical Review B, Vol. 46, Issue 21
DOI: 10.1103/PhysRevB.46.13773

Heat capacities and thermodynamic functions of TiO2 anatase and rutile: Analysis of phase stability
journal, February 2009

Smith, S. J.; Stevens, R.; Liu, S.
American Mineralogist, Vol. 94, Issue 2-3
DOI: 10.2138/am.2009.3050

Defect Chemistry of Titanium Dioxide. Application of Defect Engineering in Processing of TiO ₂ -Based Photocatalysts
journal, March 2008

Nowotny, M. K.; Sheppard, L. R.; Bak, T.
The Journal of Physical Chemistry C, Vol. 112, Issue 14
DOI: 10.1021/jp077275m

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

Liu, Lin-Gun; Mernagh, T. P.
European Journal of Mineralogy, Vol. 4, Issue 1
DOI: 10.1127/ejm/4/1/0045

Vibrational thermodynamics of materials
journal, May 2010

Fultz, Brent
Progress in Materials Science, Vol. 55, Issue 4
DOI: 10.1016/j.pmatsci.2009.05.002

Scattering of Neutrons by an Anharmonic Crystal
journal, December 1962

Maradudin, A. A.; Fein, A. E.
Physical Review, Vol. 128, Issue 6
DOI: 10.1103/PhysRev.128.2589

The advancements in sol–gel method of doped-TiO2 photocatalysts
journal, February 2010

Akpan, U. G.; Hameed, B. H.
Applied Catalysis A: General, Vol. 375, Issue 1
DOI: 10.1016/j.apcata.2009.12.023

Two Pathways for Water Interaction with Oxygen Adatoms on ${TiO}_{2} (110)$
journal, March 2009

Du, Y.; Deskins, N. A.; Zhang, Z.
Physical Review Letters, Vol. 102, Issue 9
DOI: 10.1103/PhysRevLett.102.096102

Uniaxial-Stress Dependence of the Raman-Active Phonons in Ti $O_{2}$
journal, December 1973

Peercy, P. S.
Physical Review B, Vol. 8, Issue 12
DOI: 10.1103/PhysRevB.8.6018

Anharmonic Decay of Optical Phonons
journal, August 1966

Klemens, P. G.
Physical Review, Vol. 148, Issue 2
DOI: 10.1103/PhysRev.148.845

The surface science of titanium dioxide
journal, January 2003

Diebold, Ulrike
Surface Science Reports, Vol. 48, Issue 5-8
DOI: 10.1016/S0167-5729(02)00100-0

Elasticity of TiO 2 rutile to 1800 K
journal, November 1998

Isaak, D. G.; Carnes, J. D.; Anderson, O. L.
Physics and Chemistry of Minerals, Vol. 26, Issue 1
DOI: 10.1007/s002690050158

Tight-binding molecular-dynamics study of phonon anharmonic effects in silicon and diamond
journal, December 1990

Wang, C. Z.; Chan, C. T.; Ho, K. M.
Physical Review B, Vol. 42, Issue 17
DOI: 10.1103/PhysRevB.42.11276

Negative thermal expansion
journal, January 2005

Barrera, G. D.; Bruno, J. A. O.; Barron, T. H. K.
Journal of Physics: Condensed Matter, Vol. 17, Issue 4
DOI: 10.1088/0953-8984/17/4/R03

Calculation of dielectric susceptibility for complex ionic systems: Application to a predicted superlattice
journal, August 1989

Feldman, J. L.; Boyer, L. L.; Edwardson, P. J.
Physical Review B, Vol. 40, Issue 6
DOI: 10.1103/PhysRevB.40.4105

Size effects and nanostructured materials for energy applications
journal, January 2008

Balaya, Palani
Energy & Environmental Science, Vol. 1, Issue 6
DOI: 10.1039/b809078p

Raman study of phonon anharmonicity in ${LaF}_{3}$
journal, December 1985

Liarokapis, E.; Anastassakis, E.; Kourouklis, G. A.
Physical Review B, Vol. 32, Issue 12
DOI: 10.1103/PhysRevB.32.8346

Temperature Dependence of Rutile (TiO2) and Geikielite (MgTiO3) Structures Determined Using Neutron Powder Diffraction
journal, April 2009

Henderson, C. M. B.; Knight, K. S.; Lennie, A. R.
The Open Mineralogy Journal, Vol. 3, Issue 1
DOI: 10.2174/1874456700903010001

Thermo-Raman studies on anatase and rutile
journal, February 1998

Chang, Hua; Huang, Pei Jane
Journal of Raman Spectroscopy, Vol. 29, Issue 2
DOI: 10.1002/(SICI)1097-4555(199802)29:2<97::AID-JRS198>3.0.CO;2-E

Anharmonic effects in light scattering due to optical phonons in silicon
journal, August 1983

Balkanski, M.; Wallis, R. F.; Haro, E.
Physical Review B, Vol. 28, Issue 4
DOI: 10.1103/PhysRevB.28.1928

Raman Spectra of Ti $O_{2}$ , Mg $F_{2}$ , Zn $F_{2}$ , Fe $F_{2}$ , and Mn $F_{2}$
journal, February 1967

Porto, S. P. S.; Fleury, P. A.; Damen, T. C.
Physical Review, Vol. 154, Issue 2
DOI: 10.1103/PhysRev.154.522

Pressure-induced instabilities in bulk TiO ₂ rutile
journal, January 2004

Montanari, B.; Harrison, N. M.
Journal of Physics: Condensed Matter, Vol. 16, Issue 3
DOI: 10.1088/0953-8984/16/3/008

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

Burdett, Jeremy K.; Hughbanks, Timothy; Miller, Gordon J.
Journal of the American Chemical Society, Vol. 109, Issue 12
DOI: 10.1021/ja00246a021

$B_{1 g}$ mode softening in Fe $F_{2}$
journal, August 1983

Lockwood, D. J.; Katiyar, R. S.; So, V. C. Y.
Physical Review B, Vol. 28, Issue 4
DOI: 10.1103/PhysRevB.28.1983

Uniaxial-stress dependence of the first-order Raman spectrum of rutile. I. Experiments
journal, February 1980

Merle, P.; Pascual, J.; Camassel, J.
Physical Review B, Vol. 21, Issue 4
DOI: 10.1103/PhysRevB.21.1617

Photocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected Results
journal, May 1995

Linsebigler, Amy L.; Lu, Guangquan.; Yates, John T.
Chemical Reviews, Vol. 95, Issue 3
DOI: 10.1021/cr00035a013

Predicting phonon dispersion relations and lifetimes from the spectral energy density
journal, February 2010

Thomas, John A.; Turney, Joseph E.; Iutzi, Ryan M.
Physical Review B, Vol. 81, Issue 8
DOI: 10.1103/PhysRevB.81.081411

The General Utility Lattice Program ( GULP )
journal, May 2003

Gale, Julian D.; Rohl, Andrew L.
Molecular Simulation, Vol. 29, Issue 5
DOI: 10.1080/0892702031000104887

A spectral analysis method of obtaining molecular spectra from classical trajectories
journal, July 1977

Noid, D. W.; Koszykowski, M. L.; Marcus, R. A.
The Journal of Chemical Physics, Vol. 67, Issue 2
DOI: 10.1063/1.434901

A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO₂ films
journal, October 1991

O'Regan, Brian; Grätzel, Michael
Nature, Vol. 353, Issue 6346, p. 737-740
DOI: 10.1038/353737a0

Thermal expansion of polymers: Mechanisms in orthorhombic polyethylene
journal, October 1998

Bruno, J. A. O.; Allan, N. L.; Barron, T. H. K.
Physical Review B, Vol. 58, Issue 13
DOI: 10.1103/PhysRevB.58.8416

Raman scattering study on anatase TiO ₂ nanocrystals
journal, March 2000

Zhang, W. F.; He, Y. L.; Zhang, M. S.
Journal of Physics D: Applied Physics, Vol. 33, Issue 8
DOI: 10.1088/0022-3727/33/8/305

Molecular Dynamics Simulation of the Structural and Physical Properties of the Four Polymorphs of TiO ₂
journal, May 1991

Matsui, Masanori; Akaogi, Masaki
Molecular Simulation, Vol. 6, Issue 4-6
DOI: 10.1080/08927029108022432

Ionic potential models in insulators having the rutile structure
journal, November 1985

Mostoller, Mark; Wang, J. C.
Physical Review B, Vol. 32, Issue 10
DOI: 10.1103/PhysRevB.32.6773

Pressure and Temperature Dependences of the Raman-Active Phonons in Sn $O_{2}$
journal, March 1973

Peercy, P. S.; Morosin, B.
Physical Review B, Vol. 7, Issue 6
DOI: 10.1103/PhysRevB.7.2779

Soft modes in strained and unstrained rutile ${TiO}_{2}$
journal, April 2010

Mitev, Pavlin D.; Hermansson, Kersti; Montanari, Barbara
Physical Review B, Vol. 81, Issue 13
DOI: 10.1103/PhysRevB.81.134303

Pressure and Temperature Dependence of the Static Dielectric Constants and Raman Spectra of Ti $O_{2}$ (Rutile)
journal, February 1973

Samara, G. A.; Peercy, P. S.
Physical Review B, Vol. 7, Issue 3
DOI: 10.1103/PhysRevB.7.1131

Raman spectrometry study of phonon anharmonicity of hafnia at elevated temperatures
journal, August 2009

Li, Chen W.; McKerns, Michael M.; Fultz, B.
Physical Review B, Vol. 80, Issue 5
DOI: 10.1103/PhysRevB.80.054304

Inelastic neutron scattering and lattice dynamical calculation of negative thermal expansion compounds ${Cu}_{2} O$ and ${Ag}_{2} O$
journal, May 2007

Mittal, R.; Chaplot, S. L.; Mishra, S. K.
Physical Review B, Vol. 75, Issue 17
DOI: 10.1103/PhysRevB.75.174303

Temperature Dependence of the Width of the Fundamental Lattice-Vibration Absorption Peak in Ionic Crystals. II. Approximate Numerical Results
journal, March 1967

Ipatova, I. P.; Maradudin, A. A.; Wallis, R. F.
Physical Review, Vol. 155, Issue 3
DOI: 10.1103/PhysRev.155.882

Nano-TiO2 induced secondary structural transition of silk fibroin studied by two-dimensional Fourier-transform infrared correlation spectroscopy and Raman spectroscopy
journal, January 2007

Feng, Xin-Xing; Guo, Yu-Hai; Chen, Jian-Yong
Journal of Biomaterials Science, Polymer Edition, Vol. 18, Issue 11
DOI: 10.1163/156856207782246786

Anharmonicity-induced phonon broadening in aluminum at high temperatures
journal, November 2010

Tang, Xiaoli; Li, Chen W.; Fultz, B.
Physical Review B, Vol. 82, Issue 18
DOI: 10.1103/PhysRevB.82.184301

Uniaxial-stress dependence of the first-order Raman spectrum of rutile-type crystals. III. Mg $F_{2}$
journal, August 1981

Pascual, J.; Camassel, J.; Merle, P.
Physical Review B, Vol. 24, Issue 4
DOI: 10.1103/PhysRevB.24.2101

Atomistic Study of a CaTiO3-Based Mixed Conductor: Defects, Nanoscale Clusters, and Oxide-Ion Migration
journal, April 2007

Mather, G. C.; Islam, M. S.; Figueiredo, F. M.
Advanced Functional Materials, Vol. 17, Issue 6
DOI: 10.1002/adfm.200600632

Raman spectrum of rutile (TiO2)
journal, October 1950

Narayanan, P. S.
Proceedings of the Indian Academy of Sciences - Section A, Vol. 32, Issue 4
DOI: 10.1007/BF03170832

Temperature dependence of the first-order Raman scattering by phonons in Si, Ge, and $α - S n$ : Anharmonic effects
journal, February 1984

Menéndez, José; Cardona, Manuel
Physical Review B, Vol. 29, Issue 4
DOI: 10.1103/PhysRevB.29.2051

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

Citation Formats

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

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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

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

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