Strain Tuning of the Charge Density Wave in Monolayer and Bilayer 1T-TaS2

Liyong Gan; Lihong Zhang; Qingyun Zhang; Chunsheng Guo; Udo Schwingenschlögl; Yong Zhao

doi:10.1039/C5CP05695K

Strain Tuning of the Charge Density Wave in Monolayer and Bilayer 1T-TaS2

Liyong Gan, Lihong Zhang, Qingyun Zhang, Chunsheng Guo, Udo Schwingenschlögl, Yong Zhao

Research output: Contribution to journal › Article › peer-review

24 Scopus citations

Abstract

By first-principles calculations, we investigate the strain effects on the charge density wave states of monolayer and bilayer 1T-TaS2. The modified stability of the charge density wave in the monolayer is understood in terms of the strain dependent electron localization, which determines the distortion amplitude. On the other hand, in the bilayer the effect of strain on the interlayer interaction is also crucial. The rich phase diagram under strain opens new venues for applications of 1T-TaS2. We interpret the experimentally observed insulating state of bulk 1T-TaS2 as inherited from the monolayer by effective interlayer decoupling.

Original language	English (US)
Pages (from-to)	3080-3085
Number of pages	6
Journal	Phys. Chem. Chem. Phys.
Volume	18
Issue number	4
DOIs	https://doi.org/10.1039/C5CP05695K
State	Published - 2016

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KAUST Repository Item: Exported on 2020-10-01

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title = "Strain Tuning of the Charge Density Wave in Monolayer and Bilayer 1T-TaS2",

abstract = "By first-principles calculations, we investigate the strain effects on the charge density wave states of monolayer and bilayer 1T-TaS2. The modified stability of the charge density wave in the monolayer is understood in terms of the strain dependent electron localization, which determines the distortion amplitude. On the other hand, in the bilayer the effect of strain on the interlayer interaction is also crucial. The rich phase diagram under strain opens new venues for applications of 1T-TaS2. We interpret the experimentally observed insulating state of bulk 1T-TaS2 as inherited from the monolayer by effective interlayer decoupling.",

author = "Liyong Gan and Lihong Zhang and Qingyun Zhang and Chunsheng Guo and Udo Schwingenschl{\"o}gl and Yong Zhao",

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T1 - Strain Tuning of the Charge Density Wave in Monolayer and Bilayer 1T-TaS2

AU - Gan, Liyong

AU - Zhang, Lihong

AU - Zhang, Qingyun

AU - Guo, Chunsheng

AU - Schwingenschlögl, Udo

AU - Zhao, Yong

N1 - KAUST Repository Item: Exported on 2020-10-01

PY - 2016

Y1 - 2016

N2 - By first-principles calculations, we investigate the strain effects on the charge density wave states of monolayer and bilayer 1T-TaS2. The modified stability of the charge density wave in the monolayer is understood in terms of the strain dependent electron localization, which determines the distortion amplitude. On the other hand, in the bilayer the effect of strain on the interlayer interaction is also crucial. The rich phase diagram under strain opens new venues for applications of 1T-TaS2. We interpret the experimentally observed insulating state of bulk 1T-TaS2 as inherited from the monolayer by effective interlayer decoupling.

AB - By first-principles calculations, we investigate the strain effects on the charge density wave states of monolayer and bilayer 1T-TaS2. The modified stability of the charge density wave in the monolayer is understood in terms of the strain dependent electron localization, which determines the distortion amplitude. On the other hand, in the bilayer the effect of strain on the interlayer interaction is also crucial. The rich phase diagram under strain opens new venues for applications of 1T-TaS2. We interpret the experimentally observed insulating state of bulk 1T-TaS2 as inherited from the monolayer by effective interlayer decoupling.

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M3 - Article

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JO - Phys. Chem. Chem. Phys.

JF - Phys. Chem. Chem. Phys.

IS - 4

ER -

Strain Tuning of the Charge Density Wave in Monolayer and Bilayer 1T-TaS2

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