Effects of artificial stacking configurations and biaxial strain on the structural, electronic and transport properties of bilayer GaSe- A first principle study

2022 ◽  
Vol 137 ◽  
pp. 106236
Author(s):  
Joshna Palepu ◽  
Aditya Tiwari ◽  
Parikshit Sahatiya ◽  
Souvik Kundu ◽  
Sayan Kanungo
Keyword(s):  
Transport Properties ◽  
First Principle ◽  
Biaxial Strain

scholarly journals A First-Principle Study of Monolayer Transition Metal Carbon Trichalcogenides

2021 ◽  
Author(s):  
Muhammad Yar Khan ◽  
Yan Liu ◽  
Tao Wang ◽  
Hu Long ◽  
Miaogen Chen ◽  
...  
Keyword(s):  
Phonon Dispersion ◽  
Magnetic Ordering ◽  
Dimensional Structure ◽  
First Principle ◽  
Two Dimensional ◽  
Biaxial Strain ◽  
Half Metallic ◽  
First Principle Calculations ◽  
Potential Applications ◽  
External Strain

AbstractMonolayer MnCX3 metal–carbon trichalcogenides have been investigated by using the first-principle calculations. The compounds show half-metallic ferromagnetic characters. Our results reveal that their electronic and magnetic properties can be altered by applying uniaxial or biaxial strain. By tuning the strength of the external strain, the electronic bandgap and magnetic ordering of the compounds change and result in a phase transition from the half-metallic to the semiconducting phase. Furthermore, the vibrational and thermodynamic stability of the two-dimensional structure has been verified by calculating the phonon dispersion and molecular dynamics. Our study paves guidance for the potential applications of these two mono-layers in the future for spintronics and straintronics devices.

Structural, electronic, optoelectronic and transport properties of LuZnCuAs2 compound: First principle calculations under DFT

2020 ◽  
Vol 596 ◽  
pp. 412351
Author(s):  
M. Waqas Iqbal ◽  
Mumtaz Manzoor ◽  
Hira Ateeq ◽  
Sikander Azam ◽  
Ghulam Murtaza ◽  
...  
Keyword(s):  
Transport Properties ◽  
First Principle ◽  
First Principle Calculations

Widely tunable and anisotropic charge carrier mobility in monolayer tin(ii) selenide using biaxial strain: a first-principles study

2017 ◽  
Vol 5 (5) ◽  
pp. 1247-1254 ◽  
Author(s):  
Mei Zhou ◽  
Xiaobin Chen ◽  
Menglei Li ◽  
Aijun Du
Keyword(s):  
Charge Carrier ◽  
Transport Properties ◽  
First Principles ◽  
Carrier Mobility ◽  
Compressive Strain ◽  
Charge Carrier Mobility ◽  
Biaxial Strain ◽  
First Principles Study ◽  
Biaxial Tensile

Our first-principles study demonstrate that biaxial tensile/compressive strain is vital in manipulating transport properties of monolayer SnSe.

The Spin Transport of the Coblt Dimers with Different Directions

2014 ◽  
Vol 543-547 ◽  
pp. 3947-3950
Author(s):  
Shi Wei Ren
Keyword(s):  
Transport Properties ◽  
Spin Polarization ◽  
Density Of States ◽  
Bias Voltage ◽  
Spin Transport ◽  
First Principle ◽  
Transport Direction ◽  
Spin Polarized ◽  
Analysis Calculation

In this paper, the spin transport properties of the coblt dimers parrallel to the transport direction and perpendicular to ransprot direction are investigated by using the first principle analysis. Calculation shows that both the coblt dimers parrallel to the transport direction and perpendicular to ransprot direction give obvious spin polarized density of states and current. It is found that the dimer parrallel to the transport direction have larger spin polarization current.The spin polarized efficiency for the parrallel dimer increase steadily with the increase of the bias voltage. But the the spin polarization for the transverse dimer changes greatly.

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