scholarly journals Stress Evaluation of Silicon via Micro Raman Spectroscopy using Phonon Deformation Potential Constant Predicted through Quantum Espresso (First-Principles Calculation)

2020 ◽  
Vol 69 (4) ◽  
pp. 315-321
Author(s):  
Keita YASHIKI ◽  
Hirohisa KIMACHI
Keyword(s):  
Raman Spectroscopy ◽  
First Principles ◽  
First Principles Calculation ◽  
Deformation Potential ◽  
Stress Evaluation ◽  
Potential Constant ◽  
Micro Raman Spectroscopy ◽  
Quantum Espresso

Evaluation of Residual Stresses in Thin Films by Means of Micro-Raman Spectroscopy

1997 ◽  
Vol 505 ◽  
Author(s):  
Kazuyuki Mizuhara ◽  
Shinichi Takahashi ◽  
Jyunichi Kurokawa ◽  
Noboru Morita ◽  
Yoshitaro Yoshida
Keyword(s):  
Raman Spectroscopy ◽  
Temperature Effects ◽  
Simultaneous Observation ◽  
Stress Evaluation ◽  
Advantages And Disadvantages ◽  
Micro Raman Spectroscopy ◽  
Boron Doped ◽  
Doped Silicon ◽  
Fluid Cooling ◽  
Anti Stokes

ABSTRACTThe effects of temperatures on the stress evaluation of boron doped silicon in solid and film forms are investigated. Several techniques, such as fluid cooling to eliminate the temperature raise and/or simultaneous observation of Stokes and anti Stokes peaks to compensate the temperature effects, are applied. The advantages and disadvantages of each method and the abilities and limits of these techniques are discussed.

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

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

Resonance Raman spectroscopy of theS1andS2states of pyrazine: Experiment and first principles calculation of spectra

1995 ◽  
Vol 103 (16) ◽  
pp. 6851-6860 ◽  
Author(s):  
Gerhard Stock ◽  
Clemens Woywod ◽  
Wolfgang Domcke ◽  
Tim Swinney ◽  
Bruce S. Hudson
Keyword(s):  
Raman Spectroscopy ◽  
First Principles ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
First Principles Calculation

First-principles calculation of the Peierls distortion in an infinite linear carbon chain: the contribution of Raman spectroscopy

2007 ◽  
Vol 39 (2) ◽  
pp. 164-168 ◽  
Author(s):  
Alberto Milani ◽  
Matteo Tommasini ◽  
Daniele Fazzi ◽  
Chiara Castiglioni ◽  
Mirella Del Zoppo ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
First Principles ◽  
Carbon Chain ◽  
First Principles Calculation ◽  
Peierls Distortion ◽  
Linear Carbon Chain ◽  
Infinite Linear

First principles calculation of thermo-mechanical properties of thoria using Quantum ESPRESSO

2016 ◽  
Vol 05 (02) ◽  
pp. 1650008 ◽  
Author(s):  
Linu Malakkal ◽  
Barbara Szpunar ◽  
Juan Carlos Zuniga ◽  
Ravi Kiran Siripurapu ◽  
Jerzy A. Szpunar
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
First Principles ◽  
Density Functional ◽  
Local Density ◽  
Harmonic Approximation ◽  
First Principles Calculation ◽  
Thorium Dioxide ◽  
Phonon Contribution ◽  
Quantum Espresso

In this work, we have used Quantum ESPRESSO (QE), an open source first principles code, based on density-functional theory, plane waves, and pseudopotentials, along with quasi-harmonic approximation (QHA) to calculate the thermo-mechanical properties of thorium dioxide (ThO[Formula: see text]. Using Python programming language, our group developed qe-nipy-advanced, an interface to QE, which can evaluate the structural and thermo-mechanical properties of materials. We predicted the phonon contribution to thermal conductivity ([Formula: see text] using the Slack model. We performed the calculations within local density approximation (LDA) and generalized gradient approximation (GGA) with the recently proposed version for solids (PBEsol). We employed a Monkhorst-Pack [Formula: see text] k-points mesh in reciprocal space with a plane wave cut-off energy of 150 Ry to obtain the convergence of the structure. We calculated the dynamical matrices of the lattice on a [Formula: see text] mesh. We have predicted the heat capacity, thermal expansion and the phonon contribution to thermal conductivity, as a function of temperature up to 1400[Formula: see text]K, and compared them with the previous work and known experimental results.

scholarly journals A novel method for stress evaluation in chemically strengthened glass based on micro-Raman spectroscopy

2020 ◽  
Vol 3 (1) ◽  
Author(s):  
Nobuaki Terakado ◽  
Ryusei Sasaki ◽  
Yoshihiro Takahashi ◽  
Takumi Fujiwara ◽  
Shuji Orihara ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Stress Evaluation ◽  
Strengthened Glass ◽  
Micro Raman Spectroscopy ◽  
Novel Method

FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

1981 ◽  
Vol 42 (C6) ◽  
pp. C6-625-C6-627 ◽  
Author(s):  
P. E. Van Camp ◽  
V. E. Van Doren ◽  
J. T. Devreese
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Phonon Spectra

Micro-Raman Spectroscopy Evaluation of the Local Mechanical Stress in Shallow Trench Isolation CMOS Structures: Correlation with Defect Generation and Diode Leakage

1998 ◽  
Author(s):  
I. De Wolf ◽  
G. Groeseneken ◽  
H.E. Maes ◽  
M. Bolt ◽  
K. Barla ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Mechanical Stress ◽  
Defect Formation ◽  
Active Area ◽  
Wet Oxidation ◽  
Leakage Currents ◽  
Shallow Trench Isolation ◽  
Micro Raman Spectroscopy ◽  
Silicon Devices ◽  
Trench Isolation

Abstract It is shown, using micro-Raman spectroscopy, that Shallow Trench Isolation introduces high stresses in the active area of silicon devices when wet oxidation steps are used. These stresses result in defect formation in the active area, leading to high diode leakage currents. The stress levels are highest near the outer edges of line structures and at square structures. They also increase with decreasing active area dimensions.

First-Principles Calculation of a Chloride Susceptibility Index as a Scientific Descriptor for Repassivation Property of Corrosion Resistant Alloys

2020 ◽  
Author(s):  
Huibin Ke ◽  
Tianshu Li ◽  
Pin Lu ◽  
Gerald S. Frankel ◽  
Christopher D. Taylor
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Corrosion Resistant ◽  
Susceptibility Index
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