The role of Anderson’s rule in determining electronic, optical and transport properties of transition metal dichalcogenide heterostructures

We have investigated the structure and electronic, mechanical, transport and optical properties of van der Waals transition metal dichalcogenide heterostructures using first-principles calculations.

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Electronic and optical properties of van der Waals vertical heterostructures based on two-dimensional transition metal dichalcogenides: First-principles calculations

Physics Letters A ◽

10.1016/j.physleta.2019.01.060 ◽

2019 ◽

Vol 383 (13) ◽

pp. 1487-1492 ◽

Cited By ~ 21

Author(s):

Kai Ren ◽

Minglei Sun ◽

Yi Luo ◽

Sake Wang ◽

Yujing Xu ◽

...

Keyword(s):

Optical Properties ◽

Transition Metal ◽

First Principles ◽

Van Der Waals ◽

Transition Metal Dichalcogenides ◽

Two Dimensional ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

Metal Dichalcogenides

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Nonlinear Optical Properties of Transition-Metal Dichalcogenide MX2 (M = Mo, W; X = S, Se) Monolayers and Trilayers from First-Principles Calculations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b01866 ◽

2015 ◽

Vol 119 (23) ◽

pp. 13268-13276 ◽

Cited By ~ 53

Author(s):

Chung-Yu Wang ◽

Guang-Yu Guo

Keyword(s):

Optical Properties ◽

Transition Metal ◽

First Principles ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Transition Metal Dichalcogenide ◽

First Principles Calculations

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First-principles calculations of the electronic and optical properties of $$\text {WSe}_2/\text {Cd}_{0.9}\text {Zn}_{0.1}\text {Te}$$ van der Waals heterostructure

Journal of Computational Electronics ◽

10.1007/s10825-021-01659-x ◽

2021 ◽

Author(s):

Anurag Chauhan ◽

Ankit Maahich ◽

Jatin Pal

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

Van Der Waals Heterostructure

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

Journal of Materials Chemistry C ◽

10.1039/c7tc05963a ◽

2018 ◽

Vol 6 (11) ◽

pp. 2830-2839 ◽

Cited By ~ 29

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.

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First-principles calculations of the structural, electronic, and optical properties of a ZnS/GaP van der Waals heterostructure

Journal of Computational Electronics ◽

10.1007/s10825-019-01348-w ◽

2019 ◽

Vol 18 (3) ◽

pp. 758-769

Author(s):

Aihu Xiong ◽

Xiaolong Zhou

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

Van Der Waals Heterostructure

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Structural Transformations in Two-Dimensional Transition-Metal Dichalcogenide MoS2 under an Electron Beam: Insights from First-Principles Calculations

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.7b01177 ◽

2017 ◽

Vol 8 (13) ◽

pp. 3061-3067 ◽

Cited By ~ 48

Author(s):

Silvan Kretschmer ◽

Hannu-Pekka Komsa ◽

Peter Bøggild ◽

Arkady V. Krasheninnikov

Keyword(s):

Electron Beam ◽

Transition Metal ◽

First Principles ◽

Structural Transformations ◽

Transition Metal Dichalcogenide ◽

Two Dimensional ◽

First Principles Calculations

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Unconventional spin-orbit torque in transition metal dichalcogenide–ferromagnet bilayers from first-principles calculations

Physical Review B ◽

10.1103/physrevb.102.014401 ◽

2020 ◽

Vol 102 (1) ◽

Cited By ~ 3

Author(s):

Fei Xue ◽

Christoph Rohmann ◽

Junwen Li ◽

Vivek Amin ◽

Paul Haney

Keyword(s):

Transition Metal ◽

First Principles ◽

Transition Metal Dichalcogenide ◽

Spin Orbit ◽

First Principles Calculations

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Optical properties of the layered transition‐metal‐dichalcogenide ReS2: Anisotropy in the van der Waals plane

Journal of Applied Physics ◽

10.1063/1.354268 ◽

1993 ◽

Vol 74 (8) ◽

pp. 5266-5268 ◽

Cited By ~ 76

Author(s):

K. Friemelt ◽

M.‐Ch. Lux‐Steiner ◽

E. Bucher

Keyword(s):

Optical Properties ◽

Transition Metal ◽

Van Der Waals ◽

Transition Metal Dichalcogenide ◽

Layered Transition Metal

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Interface-Dependent Phononic and Optical Properties of GeO/MoSO Heterostructures

Nanoscale ◽

10.1039/d1nr06534c ◽

2021 ◽

Author(s):

Mehmet Yagmurcukardes ◽

Yigit Sozen ◽

Mehmet Baskurt ◽

François M. Peeters ◽

Hasan Sahin

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

First Principles Calculations

The interface-dependent electronic, vibrational, piezoelectric, and optical properties of van der Waals heterobilayer, formed by buckled GeO (b-GeO) and Janus MoSO structures, are investigated by means of first-principles calculations. The...

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