scholarly journals Manipulating charge density wave order in monolayer 1T−TiSe2 by strain and charge doping: A first-principles investigation

2017 ◽  
Vol 96 (16) ◽  
Author(s):  
M. J. Wei ◽  
W. J. Lu ◽  
R. C. Xiao ◽  
H. Y. Lv ◽  
P. Tong ◽  
...  
Keyword(s):  
Charge Density ◽  
First Principles ◽  
Charge Density Wave ◽  
Density Wave ◽  
Charge Doping

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.

Modulation of doping and biaxial strain on the transition temperature of the charge density wave transition in 1T-TiSe2

RSC Advances ◽  
2016 ◽  
Vol 6 (80) ◽  
pp. 76972-76979 ◽  
Author(s):  
Zhen-Guo Fu ◽  
Zi-Yu Hu ◽  
Yu Yang ◽  
Yong Lu ◽  
Fa-Wei Zheng ◽  
...  
Keyword(s):  
Transition Temperature ◽  
Charge Density ◽  
Charge Density Wave ◽  
Density Wave ◽  
Biaxial Strain ◽  
Charge Doping

We study the effects of charge doping and biaxial strains on the transition temperature of charge density wave (CDW) transition in TiSe2.

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