scholarly journals Symmetry Breakdown in Franckeite: Spontaneous Strain, Rippling and Interlayer Moiré

2019 ◽  
Author(s):  
Riccardo Frisenda ◽  
Gabriel Sanchez-Santolino ◽  
Nikos Papadopoulos ◽  
Joanna Urban ◽  
Michal Baranowski ◽  
...  
Keyword(s):  
Optical Properties ◽  
Plane Strain ◽  
Van Der Waals ◽  
Van Der Waals Interaction ◽  
Spatial Modulation ◽  
Two Dimensional ◽  
Spontaneous Strain ◽  
Strain Profile ◽  
Symmetry Breakdown ◽  
Naturally Occurring

<p>Franckeite is a naturally occurring layered mineral with a structure composed of alternating stacks of SnS<sub>2</sub>-like and PbS-like layers. Although this superlattice is composed of a sequence of isotropic two-dimensional layers, it exhibits a spontaneous rippling that makes the material structurally anisotropic. We demonstrate that this rippling comes hand in hand with an inhomogeneous in-plane strain profile and anisotropic electrical, vibrational and optical properties. We argue that this symmetry breakdown results from a spatial modulation of the van der Waals interaction between layers due to the SnS<sub>2</sub>-like and PbS-like lattices incommensurability.</p>

scholarly journals Symmetry Breakdown in Franckeite: Spontaneous Strain, Rippling and Interlayer Moiré

2019 ◽  
Author(s):  
Riccardo Frisenda ◽  
Gabriel Sanchez-Santolino ◽  
Nikos Papadopoulos ◽  
Joanna Urban ◽  
Michal Baranowski ◽  
...  
Keyword(s):  
Optical Properties ◽  
Plane Strain ◽  
Van Der Waals ◽  
Van Der Waals Interaction ◽  
Spatial Modulation ◽  
Two Dimensional ◽  
Spontaneous Strain ◽  
Strain Profile ◽  
Symmetry Breakdown ◽  
Naturally Occurring

<p>Franckeite is a naturally occurring layered mineral with a structure composed of alternating stacks of SnS<sub>2</sub>-like and PbS-like layers. Although this superlattice is composed of a sequence of isotropic two-dimensional layers, it exhibits a spontaneous rippling that makes the material structurally anisotropic. We demonstrate that this rippling comes hand in hand with an inhomogeneous in-plane strain profile and anisotropic electrical, vibrational and optical properties. We argue that this symmetry breakdown results from a spatial modulation of the van der Waals interaction between layers due to the SnS<sub>2</sub>-like and PbS-like lattices incommensurability.</p>

Intriguing electronic structures and optical properties of two-dimensional van der Waals heterostructures of Zr2CT2 (T = O, F) with MoSe2 and WSe2

2018 ◽  
Vol 6 (11) ◽  
pp. 2830-2839 ◽  
Author(s):  
Gul Rehman ◽  
S. A. Khan ◽  
B. Amin ◽  
Iftikhar Ahmad ◽  
Li-Yong Gan ◽  
...  
Keyword(s):  
Optical Properties ◽  
Material Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Van Der Waals ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures ◽  
Metal Dichalcogenides

Based on (hybrid) first-principles calculations, material properties (structural, electronic, vibrational, optical, and photocatalytic) of van der Waals heterostructures and their corresponding monolayers (transition metal dichalcogenides and MXenes) are investigated.

scholarly journals Manipulable Electronic and Optical Properties of Two-Dimensional MoSTe/MoGe2N4 van der Waals Heterostructures

Nanomaterials ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 3338
Author(s):  
Jiali Wang ◽  
Xiuwen Zhao ◽  
Guichao Hu ◽  
Junfeng Ren ◽  
Xiaobo Yuan
Keyword(s):  
Optical Properties ◽  
Absorption Coefficient ◽  
High Performance ◽  
Density Functional ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Van Der Waals Heterostructures ◽  
Electronic And Optical Properties ◽  
Wide Range ◽  
Direct Band

van der Waals heterostructures (vdWHs) can exhibit novel physical properties and a wide range of applications compared with monolayer two-dimensional (2D) materials. In this work, we investigate the electronic and optical properties of MoSTe/MoGe2N4 vdWH under two different configurations using the VASP software package based on density functional theory. The results show that Te4-MoSTe/MoGe2N4 vdWH is a semimetal, while S4-MoSTe/MoGe2N4 vdWH is a direct band gap semiconductor. Compared with the two monolayers, the absorption coefficient of MoSTe/MoGe2N4 vdWH increases significantly. In addition, the electronic structure and the absorption coefficient can be manipulated by applying biaxial strains and changing interlayer distances. These studies show that MoSTe/MoGe2N4 vdWH is an excellent candidate for high-performance optoelectronic devices.

Large excitonic effect on van der Waals interaction between two-dimensional semiconductors

Nanoscale ◽  
2020 ◽  
Vol 12 (23) ◽  
pp. 12639-12646
Author(s):  
Jiabao Yang ◽  
Xiaofei Liu ◽  
Wanlin Guo
Keyword(s):  
Long Range ◽  
Van Der Waals ◽  
Van Der Waals Interaction ◽  
Two Dimensional ◽  
Electron Hole ◽  
Excitonic Effect ◽  
Hole Interaction

Electron–hole interaction has an exceptionally large effect on the long-range van der Waals energy between two-dimensional semiconductors.

scholarly journals First principles study of electronic and optical properties and photocatalytic performance of GaN–SiS van der Waals heterostructure

RSC Advances ◽  
2021 ◽  
Vol 11 (52) ◽  
pp. 32996-33003
Author(s):  
S. S. Ullah ◽  
M. Farooq ◽  
H. U. Din ◽  
Q. Alam ◽  
M. Idrees ◽  
...  
Keyword(s):  
Optical Properties ◽  
Water Splitting ◽  
First Principles ◽  
Photocatalytic Performance ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Promising Candidate ◽  
Photocatalytic Water Splitting ◽  
Electronic And Optical Properties ◽  
Van Der Waals Heterostructure

The two dimensional GaN–SiS van der Waals heterostructure is a promising candidate for optoelectronic and photocatalytic water splitting.

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