Phonons in WSe2/MoSe2 van der Waals Heterobilayers
Corresponding Author
Fayssal Mahrouche
Laboratoire de Physique Théorique, Faculté des Sciences Exactes, Université de Bejaia, 06000 Bejaia, Algérie
Departamento de Física Aplicada, Universidad de Alicante, 03690 San Vicente del Raspeig, Spain
Search for more papers by this authorKarim Rezouali
Laboratoire de Physique Théorique, Faculté des Sciences Exactes, Université de Bejaia, 06000 Bejaia, Algérie
Search for more papers by this authorSofiane Mahtout
Laboratoire de Physique Théorique, Faculté des Sciences Exactes, Université de Bejaia, 06000 Bejaia, Algérie
Search for more papers by this authorFoudil Zaabar
Laboratoire de Physique Théorique, Faculté des Sciences Exactes, Université de Bejaia, 06000 Bejaia, Algérie
Search for more papers by this authorAlejandro Molina-Sánchez
Institute of Materials Science (ICMUV), University of Valencia, Catedrático Beltrán 2, E-46980 Valencia, Spain
Search for more papers by this authorCorresponding Author
Fayssal Mahrouche
Laboratoire de Physique Théorique, Faculté des Sciences Exactes, Université de Bejaia, 06000 Bejaia, Algérie
Departamento de Física Aplicada, Universidad de Alicante, 03690 San Vicente del Raspeig, Spain
Search for more papers by this authorKarim Rezouali
Laboratoire de Physique Théorique, Faculté des Sciences Exactes, Université de Bejaia, 06000 Bejaia, Algérie
Search for more papers by this authorSofiane Mahtout
Laboratoire de Physique Théorique, Faculté des Sciences Exactes, Université de Bejaia, 06000 Bejaia, Algérie
Search for more papers by this authorFoudil Zaabar
Laboratoire de Physique Théorique, Faculté des Sciences Exactes, Université de Bejaia, 06000 Bejaia, Algérie
Search for more papers by this authorAlejandro Molina-Sánchez
Institute of Materials Science (ICMUV), University of Valencia, Catedrático Beltrán 2, E-46980 Valencia, Spain
Search for more papers by this authorAbstract
The first-principles calculations of the structural and vibrational properties of the synthesized 2D van der Waals (vdW) heterobilayers (HBLs) formed by single-layer dichalcogenides MoSe2 and WSe2 are reported. When combining these systems in periodic 2D heterostructures, the intrinsic phonon characteristics of the free-standing constituents are to a large extent preserved but, furthermore, exhibit shear and breathing phonon modes that are not present in the individual building blocks. These unusual modes, which are extremely sensitive to weak vdW forces, could be a useful tool for the characterization of the optical properties of vdW heterostructures. In addition to these features, the departure of flexural modes of the HBL from the ones of its monolayer parents is also found.
Conflict of Interest
The authors declare no conflict of interest.
Open Research
Data Availability Statement
Research data are not shared.
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