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20-021 Strain-induced stripe phase in charge-ordered single layer NbSe_2

최종 수정일: 2020년 5월 14일



Fabrizio Cossu, Krisztián Palotás, Sagar Sarkar, Igor Di Marco, Alireza Akbari


NPG Asia Materials 12, 24 (2020)


https://doi.org/10.1038/s41427-020-0207-x



Abstract


Charge density waves are ubiquitous phenomena in metallic transition metal dichalcogenides. In NbSe_2, a triangular 3 × 3 structural modulation is coupled to a charge modulation. Recent experiments reported evidence for a triangular-stripe transition at the surface, due to strain or accidental doping and associated to a 4 × 4 modulation. We employ ab initio calculations to investigate the strain-induced structural instabilities in a pristine single layer and analyse the energy hierarchy of the structural and charge modulations. Our results support the observation of phase separation between triangular and stripe phases in 1H-NbSe_2, relating the stripe phase to compressive isotropic strain, favouring the 4 × 4 modulation. The observed wavelength of the charge modulation is also reproduced with a good accuracy.


#publication #paper #Electronic_properties_and_materials #Phase_transitions #Critical_phenomena #Superconductiong_properties #Surfaces,interfaces_and_thin_films

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· Date: August 20(Thu.), 2020 · Place: Online (ZOOM) & Konkuk Univ., Seoul · Website: https://www.apctp.org/plan.php/snail2020-1 · Overview : The origin of the asymmetry between matter and anti-matter