Phase transitions in wolframite-typeCdWO4at high pressure studied by Raman spectroscopy and density-functional theory

R. Lacomba-Perales; D. Errandonea; D. Martinez-Garcia; P. Rodríguez-Hernández; S. Radescu; A. Mujica; A. Muñoz; J. C. Chervin; A. Polian

doi:10.1103/physrevb.79.094105

Phase transitions in wolframite-typeCdWO4at high pressure studied by Raman spectroscopy and density-functional theory

Physical Review B ◽

10.1103/physrevb.79.094105 ◽

2009 ◽

Vol 79 (9) ◽

Cited By ~ 58

Author(s):

R. Lacomba-Perales ◽

D. Errandonea ◽

D. Martinez-Garcia ◽

P. Rodríguez-Hernández ◽

S. Radescu ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

High Pressure ◽

Phase Transitions ◽

Density Functional ◽

Functional Theory

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High-pressure electronic structure and phase transitions in monoclinic InSe: X-ray diffraction, Raman spectroscopy, and density functional theory

Physical Review B ◽

10.1103/physrevb.77.045208 ◽

2008 ◽

Vol 77 (4) ◽

Cited By ~ 28

Author(s):

D. Errandonea ◽

D. Martínez-García ◽

A. Segura ◽

J. Haines ◽

E. Machado-Charry ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

High Pressure ◽

Electronic Structure ◽

Phase Transitions ◽

Density Functional ◽

X Ray Diffraction ◽

Functional Theory ◽

X Ray

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The high-pressure phase transitions and vibrational properties of zinc-blende XTe (X=Zn, Cd, Hg): Performance of local-density-approximation density functional theory

Computational Materials Science ◽

10.1016/j.commatsci.2010.03.037 ◽

2010 ◽

Vol 48 (4) ◽

pp. 796-801 ◽

Cited By ~ 32

Author(s):

Jiajin Tan ◽

Guangfu Ji ◽

Xiangrong Chen ◽

Liang Zhang ◽

Ya Wen

Keyword(s):

Density Functional Theory ◽

High Pressure ◽

Phase Transitions ◽

Density Functional ◽

Local Density ◽

Vibrational Properties ◽

Density Approximation ◽

Functional Theory ◽

Zinc Blende ◽

Pressure Phase

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Effect of High Pressure on the Transformations of Ferrocene-Filled, Single-Wall, Carbon Nanotubes: Density Functional Theory and Raman Spectroscopy Studies

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b05398 ◽

2016 ◽

Vol 120 (40) ◽

pp. 23189-23196 ◽

Cited By ~ 7

Author(s):

Zhen Yao ◽

Jing Zhang ◽

Ming-Guang Yao ◽

Shuang-Long Chen ◽

Bing-Bing Liu

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Raman Spectroscopy ◽

High Pressure ◽

Density Functional ◽

Single Wall Carbon Nanotubes ◽

Functional Theory ◽

Single Wall Carbon ◽

Spectroscopy Studies

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Structural elucidation of Levofloxacin and Ciprofloxacin using density functional theory and Raman spectroscopy with inexpensive lab-built setup

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.128946 ◽

2020 ◽

Vol 1222 ◽

pp. 128946

Author(s):

Rajeev K. Sinha ◽

Partha Biswas

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Structural Elucidation ◽

Functional Theory

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Vibrational study of lead bromide perovskite materials with variable cations based on Raman spectroscopy and density functional theory

Journal of Raman Spectroscopy ◽

10.1002/jrs.6141 ◽

2021 ◽

Author(s):

Supriya Ghosh ◽

Debkumar Rana ◽

Bapi Pradhan ◽

Patrice Donfack ◽

Johan Hofkens ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

Perovskite Materials ◽

Vibrational Study ◽

Lead Bromide

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Excited state structural dynamics and Herzberg–Teller coupling of tetraphenylporphine explored via resonance Raman spectroscopy and density functional theory calculation

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2009.10.054 ◽

2010 ◽

Vol 75 (5) ◽

pp. 1381-1387 ◽

Cited By ~ 6

Author(s):

Jun Xu ◽

Junmin Wan ◽

Yanying Zhao ◽

Miaoqiang Lv ◽

Xuming Zheng ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Excited State ◽

Structural Dynamics ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

Functional Theory ◽

Theory Calculation

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Surface enhanced Raman spectroscopy (SERS) and density functional theory (DFT) study for understanding the regioselective adsorption of pyrrolidinone on the surface of silver and gold colloids

Journal of Molecular Structure ◽

10.1016/j.molstruc.2009.06.039 ◽

2009 ◽

Vol 935 (1-3) ◽

pp. 32-38 ◽

Cited By ~ 41

Author(s):

Phumlane S. Mdluli ◽

Ndabenhle M. Sosibo ◽

Neerish Revaprasadu ◽

Panos Karamanis ◽

Jerzy Leszczynski

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Surface Enhanced Raman Spectroscopy ◽

Dft Study ◽

Functional Theory ◽

Gold Colloids ◽

Surface Enhanced ◽

Surface Enhanced Raman

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Application of Raman Spectroscopy, Surface-Enhanced Raman Scattering (SERS), and Density Functional Theory for the Identification of Phenethylamines

Applied Spectroscopy ◽

10.1366/13-06990 ◽

2013 ◽

Vol 67 (10) ◽

pp. 1150-1159 ◽

Cited By ~ 19

Author(s):

Francis Taplin ◽

Deanna O'Donnell ◽

Thomas Kubic ◽

Marco Leona ◽

John Lombardi

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Raman Scattering ◽

Density Functional ◽

Surface Enhanced Raman Scattering ◽

Functional Theory ◽

Surface Enhanced ◽

Surface Enhanced Raman ◽

Enhanced Raman Scattering

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Understanding excited-state structure in metal polypyridyl complexes using resonance Raman excitation profiles, time-resolved resonance Raman spectroscopy and density functional theory

Coordination Chemistry Reviews ◽

10.1016/j.ccr.2009.11.015 ◽

2010 ◽

Vol 254 (21-22) ◽

pp. 2505-2518 ◽

Cited By ~ 53

Author(s):

Raphael Horvath ◽

Keith C. Gordon

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Excited State ◽

Density Functional ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

State Structure ◽

Functional Theory ◽

Polypyridyl Complexes ◽

Time Resolved

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Spin-current density-functional theory for a correct treatment of spin-orbit interactions and its application to topological phase transitions

Physical Review B ◽

10.1103/physrevb.98.205137 ◽

2018 ◽

Vol 98 (20) ◽

Cited By ~ 7

Author(s):

Egor Trushin ◽

Andreas Görling

Keyword(s):

Density Functional Theory ◽

Phase Transitions ◽

Density Functional ◽

Spin Current ◽

Topological Phase ◽

Spin Orbit ◽

Correct Treatment ◽

Functional Theory ◽

Spin Orbit Interactions ◽

Topological Phase Transitions

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