scholarly journals Large gap two dimensional topological insulators: the bilayer triangular lattice TlM (M = N, P, As, Sb)

2017 ◽  
Vol 5 (17) ◽  
pp. 4268-4274 ◽  
Author(s):  
Pan Zhou ◽  
Lin Xue ◽  
Lizhong Sun
Keyword(s):  
Triangular Lattice ◽  
Density Functional ◽  
Quantum Spin ◽  
Low Energy ◽  
Two Dimensional ◽  
Functional Theory ◽  
Quantum Spin Hall Effect ◽  
Berry Curvature ◽  
Band Inversion ◽  
Low Energy Electrons

Based on density functional theory and Berry curvature calculations, we predict that the p–p band inversion type quantum spin Hall effect (QSHE) can be realized in a series of two dimensional (2D) bilayer honeycomb TlMs (M = N, P, As, Sb), which can be effectively equivalent to a bilayer triangular lattice for low energy electrons.

scholarly journals Complex magnetism of the two-dimensional antiferromagnetic Ge2F: from a Néel spin-texture to a potential antiferromagnetic skyrmion

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8654-8663
Author(s):  
Fatima Zahra Ramadan ◽  
Flaviano José dos Santos ◽  
Lalla Btissam Drissi ◽  
Samir Lounis
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Density Functional ◽  
Low Energy ◽  
Two Dimensional ◽  
Functional Theory ◽  
2D Material ◽  
Energy Models ◽  
Spin Texture

Based on density functional theory combined with low-energy models, we explore the magnetic properties of a hybrid atomic-thick two-dimensional (2D) material made of germanene doped with fluorine atoms in a half-fluorinated configuration (Ge2F).

First-Principles Evaluation of the Potential of Borophene as a Monolayer Transparent Conductor

2017 ◽  
Author(s):  
Lyudmyla Adamska ◽  
Sridhar Sadasivam ◽  
Jonathan J. Foley ◽  
Pierre Darancet ◽  
Sahar Sharifzadeh
Keyword(s):  
First Principles ◽  
Density Functional ◽  
State Of The Art ◽  
Transparent Electrode ◽  
Visible Range ◽  
Two Dimensional ◽  
Transparent Conductor ◽  
Many Body ◽  
Functional Theory ◽  
Many Body Perturbation Theory

Two-dimensional boron is promising as a tunable monolayer metal for nano-optoelectronics. We study the optoelectronic properties of two likely allotropes of two-dimensional boron using first-principles density functional theory and many-body perturbation theory. We find that both systems are anisotropic metals, with strong energy- and thickness-dependent optical transparency and a weak (<1%) absorbance in the visible range. Additionally, using state-of-the-art methods for the description of the electron-phonon and electron-electron interactions, we show that the electrical conductivity is limited by electron-phonon interactions. Our results indicate that both structures are suitable as a transparent electrode.

scholarly journals Tunable quantum spin Hall effect via strain in two-dimensional arsenene monolayer

2016 ◽  
Vol 49 (5) ◽  
pp. 055305 ◽  
Author(s):  
Ya-ping Wang ◽  
Chang-wen Zhang ◽  
Wei-xiao Ji ◽  
Run-wu Zhang ◽  
Ping Li ◽  
...  
Keyword(s):  
Hall Effect ◽  
Quantum Spin ◽  
Spin Hall Effect ◽  
Two Dimensional ◽  
Quantum Spin Hall Effect ◽  
Quantum Spin Hall

Exploring the possibilities of two-dimensional transition metal carbides as anode materials for sodium batteries

2015 ◽  
Vol 17 (7) ◽  
pp. 5000-5005 ◽  
Author(s):  
Eunjeong Yang ◽  
Hyunjun Ji ◽  
Jaehoon Kim ◽  
Heejin Kim ◽  
Yousung Jung
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Electrochemical Properties ◽  
Anode Materials ◽  
Density Functional ◽  
Two Dimensional ◽  
Metal Carbides ◽  
Functional Theory ◽  
Transition Metal Carbides ◽  
Sodium Batteries

MXenes are predicted to be a family of promising Na anode materials with desirable electrochemical properties using density functional theory.

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