First-Principles Calculations of Uniaxial Strain Effects on Manganese in Silicon

2008 ◽  
Vol 47 (1) ◽  
pp. 26-30 ◽  
Author(s):  
Shin Yabuuchi ◽  
Eiji Ohta ◽  
Hiroyuki Kageshima
Keyword(s):  
First Principles ◽  
Uniaxial Strain ◽  
First Principles Calculations ◽  
Strain Effects

Strain Effects on Optical Gain Properties of GaN/AlGaN Quantum Well Lasers

1996 ◽  
Vol 421 ◽  
Author(s):  
M. Suzuki ◽  
T. Uenoyama
Keyword(s):  
Quantum Well ◽  
First Principles ◽  
Carrier Density ◽  
Optical Gain ◽  
Uniaxial Strain ◽  
Quantum Well Lasers ◽  
Physical Parameters ◽  
First Principles Calculations ◽  
Strain Effects ◽  
Laser Performance

AbstractSubband structures and optical gains of the strained wurtzite GaN/AlGaN quantum well lasers are theoretically investigated on the basis of k.p theory. First-principles calculations are used for deriving the unknown physical parameters, such as deformation potentials. Neither compressive nor tensile biaxial strains are so effective on the reduction of the threshold carrier density. It is also found that the uniaxial strain in the c-plane is one of the preferable approaches for the efficient improvement of the laser performance.

scholarly journals Polarization effects on the interfacial conductivity in LaAlO3/SrTiO3heterostructures: a first-principles study

2016 ◽  
Vol 18 (9) ◽  
pp. 6831-6838 ◽  
Author(s):  
Maziar Behtash ◽  
Safdar Nazir ◽  
Yaqin Wang ◽  
Kesong Yang
Keyword(s):  
First Principles ◽  
Carrier Density ◽  
Uniaxial Strain ◽  
First Principles Calculations ◽  
Electron Carrier ◽  
Polarization Effects ◽  
First Principles Study

First-principles calculations predict the normalized electron carrier density (μ/μ0), the mobility (m*/m0), and the conductivity (σ/σ0) in LaAlO3/SrTiO3as a function of uniaxial strain.

scholarly journals Strain effects on the magnetic anisotropy of Y2Fe14B examined by first-principles calculations

2014 ◽  
Vol 104 (24) ◽  
pp. 242403 ◽  
Author(s):  
Zahra Torbatian ◽  
Taisuke Ozaki ◽  
Shinji Tsuneyuki ◽  
Yoshihiro Gohda
Keyword(s):  
Magnetic Anisotropy ◽  
First Principles ◽  
First Principles Calculations ◽  
Strain Effects

scholarly journals Strain Effects in Gallium Nitride Adsorption on Defective and Doped Graphene: First-Principles Calculations

Crystals ◽  
2018 ◽  
Vol 8 (2) ◽  
pp. 58 ◽  
Author(s):  
Han Yan ◽  
Pei-Cheng Ku ◽  
Zhi-Yin Gan ◽  
Sheng Liu ◽  
Peng Li
Keyword(s):  
Gallium Nitride ◽  
First Principles ◽  
First Principles Calculations ◽  
Strain Effects ◽  
Doped Graphene

SPIN-ORBIT COUPLING IN GRAPHENE UNDER UNIAXIAL STRAIN: TIGHT-BINDING APPROACH AND FIRST-PRINCIPLES CALCULATIONS

2011 ◽  
Vol 25 (11) ◽  
pp. 823-830 ◽  
Author(s):  
BAIHUA GONG ◽  
XIN-HUI ZHANG ◽  
ER-HU ZHANG ◽  
SHENG-LI ZHANG
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Tight Binding ◽  
Uniaxial Strain ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
First Principles Calculations ◽  
Binding Model ◽  
Tight Binding Approximation

Tuning the spin-orbit coupling (SOC) in graphene is highly desired for its application in spintronics. In this paper, we calculated the band gap induced by SOC in graphene under uniaxial strain from a tight-binding model, and found that the band gap has a monotonic increasing dependence on the strain in the range of -20% to 15%. Our results suggest that strain can be used as a reversible and controllable way to tune the SOC in graphene. First-principles calculations were performed, confirming the results of tight-binding approximation.

scholarly journals The mechanism of structure phase transition from α Fe to ε Fe under uniaxial strain: First-principles calculations

2010 ◽  
Vol 59 (6) ◽  
pp. 4303
Author(s):  
Lu Zhi-Peng ◽  
Zhu Wen-Jun ◽  
Lu Tie-Cheng ◽  
Liu Shao-Jun ◽  
Cui Xin-Lin ◽  
...  
Keyword(s):  
Phase Transition ◽  
First Principles ◽  
Uniaxial Strain ◽  
First Principles Calculations ◽  
Structure Phase ◽  
Structure Phase Transition

Highly Sensitive Strain Sensor Using Dumbbell-Shape Graphene Nanoribbon

2017 ◽  
Author(s):  
Qinqiang Zhang ◽  
Meng Yang ◽  
Ken Suzuki ◽  
Hideo Miura
Keyword(s):  
Band Structure ◽  
Band Gap ◽  
First Principles ◽  
Room Temperature ◽  
Electronic Band Structure ◽  
Strain Sensor ◽  
Uniaxial Strain ◽  
First Principles Calculations ◽  
Electronic Band ◽  
Highly Sensitive

A nano-scale strip of graphene is known as graphene nano-ribbon (GNR). Previous studies have shown that the armchair-type GNR (aGNR) can open the electronic band gap at room temperature, and the band gap increases monotonically with the decrease in the width of aGNR. The critical width at which aGNR shows semi-conductive characteristics at room temperature is about 70 nm, when it is passivated by hydrogen on both sides. However, the electronic band structure varies frequently as a function of the number of carbon atoms along its width direction. In order to decrease the large variation of the band gap of aGNR to control the electronic properties of GNR for highly sensitive sensors and high performance devices, the electronic band structure of various dumbbell-shape structure of aGNR was analyzed by first-principles calculations based on the density functional theory using implemented in SIESTA package. It was shown that the width of aGNR had a large effect on the electronic band structure and the amplitude of the fluctuation of the band gap as a function of the number of carbon atoms decreased drastically. The electronic band structure of various GNRs under the application of uniaxial strain was also analyzed by using the first-principles calculations, in this study. It was confirmed that the effective band gap of aGNR thinner than 70 nm varies drastically under the application of uniaxial strain, and this result clearly indicates the possibility of a highly sensitive strain sensor using dumbbell-shape GNR structures.

scholarly journals Anisotropic optical properties induced by uniaxial strain of monolayer C3N: a first-principles study

RSC Advances ◽  
2019 ◽  
Vol 9 (23) ◽  
pp. 13133-13144 ◽  
Author(s):  
Qing-Yuan Chen ◽  
Ming-yang Liu ◽  
Chao Cao ◽  
Yao He
Keyword(s):  
Optical Properties ◽  
Electronic Properties ◽  
Structural Properties ◽  
First Principles ◽  
Uniaxial Strain ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
First Principles Study ◽  
Different Strains

The optical properties, structural properties and electronic properties of a new two-dimensional (2D) monolayer C3N under different strains are studied in this paper by using first-principles calculations.

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