Re‐Dichalcogenides: Resolving Conflicts of Their Structure–Property Relationship

Re‐Dichalcogenides: Resolving Conflicts of Their Structure–Property Relationship

Abstract ReX2 (X = S, Se) remains a copious source of controversies and unanswered questions due to its widely contrasting experimental and theoretical results. With the help of comparative first‐principles electronic structure and phonon calculations, the correct structures for both systems are est...

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Bibliographic Details
Main Authors: Md. Nur Hasan, Felix Sorgenfrei, Nivedita Pan, Dibya Phuyal, Mahmoud Abdel‐Hafiez, Samir Kumar Pal, Anna Delin, Patrik Thunström, D. D. Sarma, Olle Eriksson, Debjani Karmakar
Format: Article
Language:English
Published: Wiley-VCH 2022-12-01
Series:Advanced Physics Research
Subjects:
density functional calculations
HSE06
monolayers
phonons
structure–property relationships
X‐ray spectral properties
Online Access:https://doi.org/10.1002/apxr.202200010

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