Structural, elastic, and lattice dynamic stability of yttrium selenide (YSe) under pressure: A first principle study

2014 ◽  
Vol 116 (19) ◽  
pp. 193504 ◽  
Author(s):  
B. D. Sahoo ◽  
K. D. Joshi ◽  
Satish C. Gupta
Keyword(s):  
Dynamic Stability ◽  
Lattice Dynamic ◽  
First Principle

Dynamic stability in phosphorene bilayer with different stacking orders: A first principle study

2022 ◽  
Vol 140 ◽  
pp. 106341
Author(s):  
Habiba Mamori ◽  
Abdallah El Kenz ◽  
Abdelilah Benyoussef ◽  
Abdelhafed Taleb ◽  
Ahmed Ennaoui ◽  
...  
Keyword(s):  
Dynamic Stability ◽  
First Principle

On equation of state, elastic, and lattice dynamic stability of bcc bismuth under high pressure: Ab-initio calculations

2014 ◽  
Vol 115 (5) ◽  
pp. 053702 ◽  
Author(s):  
D. Mukherjee ◽  
B. D. Sahoo ◽  
K. D. Joshi ◽  
Satish C. Gupta
Keyword(s):  
High Pressure ◽  
Equation Of State ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Dynamic Stability ◽  
Lattice Dynamic

Structural, electronic, optical and lattice dynamic properties of the different WO3 phases: First-principle calculation

Vacuum ◽  
2019 ◽  
Vol 164 ◽  
pp. 411-420 ◽  
Author(s):  
Huanhuan Yang ◽  
Honggang Sun ◽  
Qiutong Li ◽  
Pan Li ◽  
Kaikai Song ◽  
...  
Keyword(s):  
Dynamic Properties ◽  
Lattice Dynamic ◽  
First Principle ◽  
Principle Calculation ◽  
First Principle Calculation ◽  
Wo3 Phases

Optical phonons in the kesterite Cu2ZnGeS4 semiconductor: polarized Raman spectroscopy and first-principle calculations

RSC Advances ◽  
2016 ◽  
Vol 6 (16) ◽  
pp. 13278-13285 ◽  
Author(s):  
M. Guc ◽  
A. P. Litvinchuk ◽  
S. Levcenko ◽  
M. Ya. Valakh ◽  
I. V. Bodnar ◽  
...  
Keyword(s):  
Vibrational Analysis ◽  
Lattice Dynamic ◽  
First Principle ◽  
Optical Phonons ◽  
Plane Rotation ◽  
Crystal Facet ◽  
First Principle Calculations ◽  
Scattering Measurements ◽  
Polarized Raman Spectroscopy ◽  
Polarized Raman

A comprehensive vibrational analysis of the kesterite Cu2ZnGeS4 is reported, which includes in-plane rotation polarized Raman scattering measurements from the (1 0 1)-single crystal facet as well as first principle lattice dynamic calculations.

Lattice dynamic properties of BaSi2 and BaGe2 from first principle calculations

2010 ◽  
Vol 374 (36) ◽  
pp. 3797-3800 ◽  
Author(s):  
H. Peng ◽  
C.L. Wang ◽  
J.C. Li ◽  
R.Z. Zhang ◽  
M.X. Wang ◽  
...  
Keyword(s):  
Dynamic Properties ◽  
Lattice Dynamic ◽  
First Principle ◽  
First Principle Calculations
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