A DFT study on structural, vibrational properties, and quasiparticle band structure of solid nitromethane

The Journal of Chemical Physics ◽

10.1063/1.4803479 ◽

2013 ◽

Vol 138 (18) ◽

pp. 184705 ◽

Author(s):

S. Appalakondaiah ◽

G. Vaitheeswaran ◽

S. Lebègue

Keyword(s):

Band Structure ◽

Dft Study ◽

Vibrational Properties ◽

Quasiparticle Band

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Temperature-dependent quasiparticle band structure of an antiferromagnetic two-layer EuTe film

Physica B Condensed Matter ◽

10.1016/s0921-4526(03)00315-6 ◽

2003 ◽

Vol 336 (3-4) ◽

pp. 379-386

Author(s):

Satadeep Bhattacharjee ◽

S. Mathi Jaya

Keyword(s):

Band Structure ◽

Temperature Dependent ◽

Quasiparticle Band

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Quasiparticle band-structure effects on thedhole lifetimes of copper within theGWapproximation

Physical Review B ◽

10.1103/physrevb.66.161104 ◽

2002 ◽

Vol 66 (16) ◽

Author(s):

Andrea Marini ◽

Rodolfo Del Sole ◽

Angel Rubio ◽

Giovanni Onida

Keyword(s):

Band Structure ◽

Quasiparticle Band

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Quasiparticle band structure of Na and simple metals

Physical Review Letters ◽

10.1103/physrevlett.60.1558 ◽

1988 ◽

Vol 60 (15) ◽

pp. 1558-1561 ◽

Author(s):

In-Whan Lyo ◽

E. W. Plummer

Keyword(s):

Band Structure ◽

Quasiparticle Band

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Quasiparticle band structure of CeCu2Si2 and CeAl3

Zeitschrift für Physik B Condensed Matter ◽

10.1007/bf01303840 ◽

1986 ◽

Vol 65 (2) ◽

pp. 149-159 ◽

Author(s):

J. Sticht ◽

N. d'Ambrumenil ◽

J. K�bler

Keyword(s):

Band Structure ◽

Quasiparticle Band

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Quasiparticle Band Structure of Carbon Nanotubes

10.1063/1.1994466 ◽

2005 ◽

Author(s):

Takashi Miyake

Keyword(s):

Carbon Nanotubes ◽

Band Structure ◽

Quasiparticle Band ◽

Structure Of Carbon Nanotubes

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The quasiparticle band structure of CeSn3

Journal of Physics F Metal Physics ◽

10.1088/0305-4608/16/3/012 ◽

1986 ◽

Vol 16 (3) ◽

pp. 335-345 ◽

Author(s):

P Strange ◽

D M Newns

Keyword(s):

Band Structure ◽

Quasiparticle Band

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Quasiparticle band structure of lanthanum hydride

Physical Review B ◽

10.1103/physrevb.64.155108 ◽

2001 ◽

Vol 64 (15) ◽

Author(s):

Eric K. Chang ◽

Xavier Blase ◽

Steven G. Louie

Keyword(s):

Band Structure ◽

Quasiparticle Band

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Vibrational properties of the trinuclear spin crossover complex [Fe3(4-(2′-hydroxy-ethyl)-1,2,4-triazole)6(H2O)6](CF3SO3)6: a nuclear inelastic scattering, IR, Raman and DFT study

Physical Chemistry Chemical Physics ◽

10.1039/c0cp01108h ◽

2010 ◽

Vol 12 (44) ◽

pp. 14782 ◽

Author(s):

Juliusz A. Wolny ◽

Sergej Rackwitz ◽

Klaus Achterhold ◽

Yann Garcia ◽

Kai Muffler ◽

...

Keyword(s):

Inelastic Scattering ◽

Spin Crossover ◽

Dft Study ◽

Nuclear Inelastic Scattering ◽

Vibrational Properties

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Quasiparticle band structure of lithium hydride

Physical Review B ◽

10.1103/physrevb.32.4077 ◽

1985 ◽

Vol 32 (6) ◽

pp. 4077-4087 ◽

Author(s):

S. Baroni ◽

G. Pastori Parravicini ◽

G. Pezzica

Keyword(s):

Band Structure ◽

Lithium Hydride ◽

Quasiparticle Band

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Ionicity and birefringence of α-LiNH4SO4crystals: ab initio DFT study, X-ray spectroscopy measurements

RSC Advances ◽

10.1039/c6ra27386f ◽

2017 ◽

Vol 7 (12) ◽

pp. 6889-6901 ◽

Author(s):

M. Ya. Rudysh ◽

M. G. Brik ◽

O. Y. Khyzhun ◽

A. O. Fedorchuk ◽

I. V. Kityk ◽

...

Keyword(s):

Band Structure ◽

Ab Initio ◽

Electronic Properties ◽

First Principles ◽

Experimental Studies ◽

Dft Study ◽

X Ray ◽

Complex Approach ◽

The structural, electronic properties and ionicity of the α-LiNH4SO4dielectric crystals are examined using a complex approach: experimental studies of X-ray spectroscopy and the first principles band structure techniques within a framework of DFT.

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