Electronic and vibrational properties of graphene monolayers with iron adatoms: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2014.06.126 ◽

2015 ◽

Vol 334 ◽

pp. 2-6 ◽

Cited By ~ 8

Author(s):

Nicholas Dimakis ◽

Nestor E. Navarro ◽

Julian Velazquez ◽

Andres Salgado

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Functional Theory

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Effects of shape and dopant on structural, optical absorption, Raman, and vibrational properties of silver and copper quantum clusters: A density functional theory study

Chinese Physics B ◽

10.1088/1674-1056/23/11/117103 ◽

2014 ◽

Vol 23 (11) ◽

pp. 117103 ◽

Cited By ~ 4

Author(s):

Wei-Yin Li ◽

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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Structural, optical and vibrational properties of Cr2O3 with ferromagnetic and antiferromagnetic order: A combined experimental and density functional theory study

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2017.07.103 ◽

2017 ◽

Vol 444 ◽

pp. 16-22 ◽

Cited By ~ 8

Author(s):

T. Larbi ◽

B. Ouni ◽

A. Gantassi ◽

K. Doll ◽

M. Amlouk ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Antiferromagnetic Order ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Functional Theory

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Experimental and Density Functional Theory Study of the Vibrational Properties of 2-Mercaptobenzimidazole in Interaction with Gold

The Journal of Physical Chemistry A ◽

10.1021/jp061582v ◽

2006 ◽

Vol 110 (39) ◽

pp. 11346-11352 ◽

Cited By ~ 30

Author(s):

Th. Doneux ◽

F. Tielens ◽

P. Geerlings ◽

Cl. Buess-Herman

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study of the atomic structure, formation energy, and vibrational properties of nitrogen-vacancy-oxygen defects in silicon

Journal of Applied Physics ◽

10.1063/1.3387912 ◽

2010 ◽

Vol 108 (3) ◽

pp. 033513 ◽

Cited By ~ 10

Author(s):

F. Sahtout Karoui ◽

A. Karoui

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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Structural, electronic and vibrational properties of tetragonal zirconia under pressure: a density functional theory study

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/21/48/485404 ◽

2009 ◽

Vol 21 (48) ◽

pp. 485404 ◽

Cited By ~ 63

Author(s):

Victor Milman ◽

Alexander Perlov ◽

Keith Refson ◽

Stewart J Clark ◽

Jacob Gavartin ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Tetragonal Zirconia ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Functional Theory

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Temperature and pressure effects on the elasticity behavior, electronic and vibrational properties of Al, Li, LiAl and Li2Al: A density functional theory study

Computational Materials Science ◽

10.1016/j.commatsci.2015.04.048 ◽

2015 ◽

Vol 106 ◽

pp. 50-58 ◽

Cited By ~ 1

Author(s):

D. Chen ◽

Y.P. Cang ◽

Y.S. Luo ◽

H.M. Yang ◽

J.Y. Zhao ◽

...

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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Coupling of magnetic ordering and vibrational properties: a density functional theory study of magnetic and structural phase transitions

Phase Transitions ◽

10.1080/01411590701228455 ◽

2007 ◽

Vol 80 (4-5) ◽

pp. 445-468 ◽

Cited By ~ 1

Author(s):

Xing-Qiu Chen ◽

W. Wolf ◽

R. Podloucky

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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Electronic, Structural and Vibrational Properties of GaP Diamondoids and Nanocrystals: A Density Functional Theory Study

Nanomaterials and Nanotechnology ◽

10.5772/60577 ◽

2015 ◽

Vol 5 ◽

pp. 15 ◽

Cited By ~ 1

Author(s):

Mudar Ahmed Abdulsattar ◽

Bahjat B. Kadhim ◽

Huda M. Jawad

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

10.1063/1.4980596 ◽

2017 ◽

Author(s):

Trupti K. Gajaria ◽

Shweta D. Dabhi ◽

Bhumi A. Baraiya ◽

Venu Mankad ◽

Prafulla K. Jha

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Vibrational Properties ◽

Density Functional Theory Study ◽

Wurtzite Phase ◽

Functional Theory

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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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