Soft modes and anharmonicity inH3[Co(CN)6]: Raman spectroscopy and first-principles calculations

Physical Review B ◽

10.1103/physrevb.92.134112 ◽

2015 ◽

Vol 92 (13) ◽

Author(s):

K. K. Mishra ◽

Sharat Chandra ◽

Nilesh P. Salke ◽

S. N. Achary ◽

A. K. Tyagi ◽

...

Keyword(s):

Raman Spectroscopy ◽

First Principles ◽

First Principles Calculations ◽

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Soft modes and negative thermal expansion inZn(CN)2from Raman spectroscopy and first-principles calculations

Physical Review B ◽

10.1103/physrevb.76.054302 ◽

2007 ◽

Vol 76 (5) ◽

Author(s):

T. R. Ravindran ◽

A. K. Arora ◽

Sharat Chandra ◽

M. C. Valsakumar ◽

N. V. Chandra Shekar

Keyword(s):

Raman Spectroscopy ◽

Thermal Expansion ◽

First Principles ◽

Negative Thermal Expansion ◽

First Principles Calculations ◽

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Vibrational dynamics of rutile-type GeO 2 from micro-Raman spectroscopy experiments and first-principles calculations

EPL (Europhysics Letters) ◽

10.1209/0295-5075/109/26007 ◽

2015 ◽

Vol 109 (2) ◽

pp. 26007 ◽

Author(s):

A. Sanson ◽

G. S. Pokrovski ◽

M. Giarola ◽

G. Mariotto

Keyword(s):

Raman Spectroscopy ◽

First Principles ◽

First Principles Calculations ◽

Vibrational Dynamics ◽

Micro Raman Spectroscopy

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Enlightening the ultrahigh electrical conductivities of doped double-wall carbon nanotube fibers by Raman spectroscopy and first-principles calculations

Nanoscale ◽

10.1039/c6nr04647a ◽

2016 ◽

Vol 8 (47) ◽

pp. 19668-19676 ◽

Author(s):

Damien Tristant ◽

Ahmed Zubair ◽

Pascal Puech ◽

Frédéric Neumayer ◽

Sébastien Moyano ◽

...

Keyword(s):

Raman Spectroscopy ◽

Carbon Nanotube ◽

First Principles ◽

First Principles Calculations ◽

Electrical Conductivities ◽

Carbon Nanotube Fibers ◽

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Investigation of mode assignment on YVO4 crystal in high temperature region by polarized Raman spectroscopy and first principles calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2017.11.035 ◽

2018 ◽

Vol 192 ◽

pp. 333-335 ◽

Author(s):

Jun Suda

Keyword(s):

Raman Spectroscopy ◽

High Temperature ◽

Temperature Region ◽

First Principles ◽

First Principles Calculations ◽

High Temperature Region ◽

Polarized Raman Spectroscopy ◽

Polarized Raman ◽

Mode Assignment

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Dependence of electronic structure of g-C 3 N 4 on the layer number of its nanosheets: A study by Raman spectroscopy coupled with first-principles calculations

Carbon ◽

10.1016/j.carbon.2014.08.059 ◽

2014 ◽

Vol 80 ◽

pp. 213-221 ◽

Author(s):

Jizhou Jiang ◽

Lei Ou-yang ◽

Lihua Zhu ◽

Anmin Zheng ◽

Jing Zou ◽

...

Keyword(s):

Raman Spectroscopy ◽

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

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Study of Phase Transformation in BaTe2O6 by in Situ High-Pressure X-ray Diffraction, Raman Spectroscopy, and First-Principles Calculations

Inorganic Chemistry ◽

10.1021/acs.inorgchem.5b02174 ◽

2015 ◽

Vol 55 (1) ◽

pp. 227-238 ◽

Author(s):

K. K. Mishra ◽

S. Nagabhusan Achary ◽

Sharat Chandra ◽

T. R. Ravindran ◽

K. K. Pandey ◽

...

Keyword(s):

Raman Spectroscopy ◽

High Pressure ◽

Phase Transformation ◽

First Principles ◽

First Principles Calculations ◽

X Ray Diffraction ◽

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Vibrational dynamics of YPO4and ScPO4single crystals: An integrated study by polarized Raman spectroscopy and first-principles calculations

Physical Review B ◽

10.1103/physrevb.83.224302 ◽

2011 ◽

Vol 83 (22) ◽

Author(s):

M. Giarola ◽

A. Sanson ◽

A. Rahman ◽

G. Mariotto ◽

M. Bettinelli ◽

...

Keyword(s):

Raman Spectroscopy ◽

First Principles ◽

First Principles Calculations ◽

Vibrational Dynamics ◽

Polarized Raman Spectroscopy ◽

Polarized Raman ◽

Integrated Study

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Anharmonic phonons of NaZr2(PO4)3studied by Raman spectroscopy, first-principles calculations, and x-ray diffraction

Physical Review B ◽

10.1103/physrevb.86.144301 ◽

2012 ◽

Vol 86 (14) ◽

Author(s):

K. Kamali ◽

T. R. Ravindran ◽

C. Ravi ◽

Y. Sorb ◽

N. Subramanian ◽

...

Keyword(s):

Raman Spectroscopy ◽

First Principles ◽

First Principles Calculations ◽

X Ray Diffraction ◽

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Origin of Highly Efficient Iodine Doping in Carbon Nanotubes Studied By Raman Spectroscopy and First-Principles Calculations

ECS Meeting Abstracts ◽

10.1149/ma2017-01/9/662 ◽

2017 ◽

Keyword(s):

Carbon Nanotubes ◽

Raman Spectroscopy ◽

First Principles ◽

First Principles Calculations ◽

Iodine Doping ◽

Highly Efficient

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Pressure induced phase transitions in BaZr(PO4)2 studied using x-ray diffraction, Raman spectroscopy, and first principles calculations

Journal of Applied Physics ◽

10.1063/1.5144958 ◽

2020 ◽

Vol 127 (13) ◽

pp. 135902

Author(s):

Meera Varma ◽

H. K. Poswal ◽

Srihari Velaga

Keyword(s):

Raman Spectroscopy ◽

Phase Transitions ◽

First Principles ◽

First Principles Calculations ◽

X Ray Diffraction ◽

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