Density Functional Theory Study of the Thermodynamic and Raman Vibrational Properties of γ-UO3 Polymorph

Francisco Colmenero; Laura. J. Bonales; Joaquín Cobos; Vicente Timón

doi:10.1021/acs.jpcc.7b04389

Density Functional Theory Study of the Thermodynamic and Raman Vibrational Properties of γ-UO3 Polymorph

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b04389 ◽

2017 ◽

Vol 121 (27) ◽

pp. 14507-14516 ◽

Cited By ~ 33

Author(s):

Francisco Colmenero ◽

Laura. J. Bonales ◽

Joaquín Cobos ◽

Vicente Timón

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Functional Theory

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Chinese Physics B ◽

10.1088/1674-1056/23/11/117103 ◽

2014 ◽

Vol 23 (11) ◽

pp. 117103 ◽

Cited By ~ 4

Author(s):

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Fu-Yi Chen

Keyword(s):

Density Functional Theory ◽

Optical Absorption ◽

Density Functional ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Functional Theory ◽

Quantum Clusters

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Vol 444 ◽

pp. 16-22 ◽

Cited By ~ 8

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B. Ouni ◽

A. Gantassi ◽

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M. Amlouk ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Antiferromagnetic Order ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Functional Theory

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10.1021/jp061582v ◽

2006 ◽

Vol 110 (39) ◽

pp. 11346-11352 ◽

Cited By ~ 30

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Cl. Buess-Herman

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Functional Theory

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10.1063/1.3387912 ◽

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Vol 108 (3) ◽

pp. 033513 ◽

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Keyword(s):

Density Functional Theory ◽

Structure Formation ◽

Atomic Structure ◽

Density Functional ◽

Formation Energy ◽

Nitrogen Vacancy ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxygen Defects

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pp. 485404 ◽

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...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Tetragonal Zirconia ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Functional Theory

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pp. 50-58 ◽

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Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Pressure Effects ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Functional Theory ◽

Temperature And Pressure ◽

Temperature And Pressure Effects

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Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Functional Theory

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Keyword(s):

Density Functional Theory ◽

Phase Transitions ◽

Density Functional ◽

Structural Phase ◽

Magnetic Ordering ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Structural Phase Transitions ◽

Functional Theory

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Cited By ~ 1

Author(s):

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Bahjat B. Kadhim ◽

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Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Functional Theory

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Vibrational properties of III-V semiconductor in wurtzite phase: A comparative density functional theory study

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Shweta D. Dabhi ◽

Bhumi A. Baraiya ◽

Venu Mankad ◽

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Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Wurtzite Phase ◽

Functional Theory

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