Tunable charge density wave in a lateral black/blue phosphorene heterostructure: A first-principles calculation

2020 ◽  
Vol 102 (16) ◽  
Author(s):  
Yan Li ◽  
Hongwei Bao ◽  
Jian Zhou ◽  
Fei Ma
Keyword(s):  
Charge Density ◽  
First Principles ◽  
Charge Density Wave ◽  
Density Wave ◽  
First Principles Calculation ◽  
Blue Phosphorene

Gate-tunable superconductivity and charge-density wave in monolayer 1T$'$-MoTe$_2$ and 1T$'$-WTe$_2$

2021 ◽  
Author(s):  
Young-Woo Son ◽  
Jun-Ho Lee
Keyword(s):  
Phase Transitions ◽  
Charge Density ◽  
First Principles ◽  
Charge Density Wave ◽  
Density Wave ◽  
Quantum Spin ◽  
First Principles Calculation ◽  
Calculation Methods ◽  
Electron Doping ◽  
Quantum Spin Hall

Using first-principles calculation methods, we reveal a series of phase transitions as a function of gating or electron doping in monolayered quantum spin Hall (QSH) insulators, 1T$'$-MoTe$_2$ and 1T$'$-WTe$_2$. As...

scholarly journals van der Waals driven anharmonic melting of the 3D charge density wave in VSe2

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Josu Diego ◽  
A. H. Said ◽  
S. K. Mahatha ◽  
Raffaello Bianco ◽  
Lorenzo Monacelli ◽  
...  
Keyword(s):  
Charge Density ◽  
First Principles ◽  
Charge Density Wave ◽  
Van Der Waals ◽  
Density Wave ◽  
Transition Metal Dichalcogenides ◽  
Van Der Waals Interactions ◽  
Large Momentum ◽  
Momentum Dependence ◽  
Main Challenge

AbstractUnderstanding of charge-density wave (CDW) phases is a main challenge in condensed matter due to their presence in high-Tc superconductors or transition metal dichalcogenides (TMDs). Among TMDs, the origin of the CDW in VSe2 remains highly debated. Here, by means of inelastic x-ray scattering and first-principles calculations, we show that the CDW transition is driven by the collapse at 110 K of an acoustic mode at qCDW = (2.25 0 0.7) r.l.u. The softening starts below 225 K and expands over a wide region of the Brillouin zone, identifying the electron-phonon interaction as the driving force of the CDW. This is supported by our calculations that determine a large momentum-dependence of the electron-phonon matrix-elements that peak at the CDW wave vector. Our first-principles anharmonic calculations reproduce the temperature dependence of the soft mode and the TCDW onset only when considering the out-of-plane van der Waals interactions, which reveal crucial for the melting of the CDW phase.

First-principles studies on the charge density wave in uranium

2016 ◽  
Vol 24 (5) ◽  
pp. 055011 ◽  
Author(s):  
Ruizhi Qiu ◽  
Haiyan Lu ◽  
Bingyun Ao ◽  
Tao Tang ◽  
Piheng Chen
Keyword(s):  
Charge Density ◽  
First Principles ◽  
Charge Density Wave ◽  
Density Wave
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