Magnetism and topological features in the novel 2D systems of osmium-based halides OsX3(X:Cl,Br,I)

Gómez Bastidas, Andrés Felipe

Magnetism and topological features in the novel 2D systems of osmium-based halides OsX3(X:Cl,Br,I)

dc.contributor.advisor	García Castro, Andrés Camilo
dc.contributor.advisor	Rubel, Oleg
dc.contributor.author	Gómez Bastidas, Andrés Felipe
dc.contributor.evaluator	Beltran Rios, Carlos Leonardo
dc.contributor.evaluator	Páez Gonzáles, Carlos José
dc.date.accessioned	2023-03-08T13:03:03Z
dc.date.available	2023-03-08T13:03:03Z
dc.date.created	2023-03-07
dc.date.issued	2023-03-07
dc.description.abstract	The recently discovered 2D magnetic van der Waals crystals, pos- sess novel physical characteristics and the potential of being topological materials. Advances in experimental techniques for synthesizing and characterization of mono- layer materials have demonstrated the theoretically predicted magnetic properties, disproving the applicability of the Mermin-Wagner theorem. Also, allows the design of innovative devices. There is a great interest in the theoretical prediction of topolog- ical materials such as the Chern insulator due to the promising applications of these systems in areas such as spintronics and quantum computing. Theoretical studies of transition metal tri-halide compounds have shown the presence of both proper- ties, inherent magnetic ordering and non-trivial topology. Therefore we focused our efforts on the theoretical exploration of the electronic, magnetic and topological fea- tures of the compound family OsX3 with (X: Cl, Br, I) from the density functional theory (DFT) framework. The selection was taken based on the characteristics of this new condensed matter system: a break of time reversal symmetry due to intrinsic magnetism, hexagonal symmetry and high spin-orbit coupling. With these conditions the emergence of non-trivial topological properties are expected, such as protected metallic edge states and the quantum anomalous Hall effect. We demonstrate the importance of the electronic structure description for an accurate study of these prop- erties and the high sensitivity of the theoretical prediction of these characteristics to the treatment of electronic correlation. Moreover, the development of a topological characterization tool CHERN from DFT calculations is presented.
dc.description.abstractenglish	The recently discovered 2D magnetic van der Waals crystals, pos- sess novel physical characteristics and the potential of being topological materials. Advances in experimental techniques for synthesizing and characterization of mono- layer materials have demonstrated the theoretically predicted magnetic properties, disproving the applicability of the Mermin-Wagner theorem. Also, allows the design of innovative devices. There is a great interest in the theoretical prediction of topolog- ical materials such as the Chern insulator due to the promising applications of these systems in areas such as spintronics and quantum computing. Theoretical studies of transition metal tri-halide compounds have shown the presence of both proper- ties, inherent magnetic ordering and non-trivial topology. Therefore we focused our efforts on the theoretical exploration of the electronic, magnetic and topological fea- tures of the compound family OsX3 with (X: Cl, Br, I) from the density functional theory (DFT) framework. The selection was taken based on the characteristics of this new condensed matter system: a break of time reversal symmetry due to intrinsic magnetism, hexagonal symmetry and high spin-orbit coupling. With these conditions the emergence of non-trivial topological properties are expected, such as protected metallic edge states and the quantum anomalous Hall effect. We demonstrate the importance of the electronic structure description for an accurate study of these prop- erties and the high sensitivity of the theoretical prediction of these characteristics to the treatment of electronic correlation. Moreover, the development of a topological characterization tool CHERN from DFT calculations is presented.
dc.description.degreelevel	Pregrado
dc.description.degreename	Físico
dc.format.mimetype	application/pdf
dc.identifier.instname	Universidad Industrial de Santander
dc.identifier.reponame	Universidad Industrial de Santander
dc.identifier.repourl	https://noesis.uis.edu.co
dc.identifier.uri	https://noesis.uis.edu.co/handle/20.500.14071/12443
dc.language.iso	eng
dc.publisher	Universidad Industrial de Santander
dc.publisher.faculty	Facultad de Ciencias
dc.publisher.program	Física
dc.publisher.school	Escuela de Física
dc.rights	info:eu-repo/semantics/openAccess
dc.rights.accessrights	info:eu-repo/semantics/openAccess
dc.rights.coar	http://purl.org/coar/access_right/c_abf2
dc.rights.creativecommons	Atribución-NoComercial-SinDerivadas 4.0 Internacional (CC BY-NC-ND 4.0)
dc.rights.license	Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)
dc.rights.uri	http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subject	Teoría del funcional de la densidad
dc.subject	DFT
dc.subject	Materiales 2D
dc.subject	Trihalogenuros basados en Osmio
dc.subject	Materiales topológicos
dc.subject	Número de Chern
dc.subject	Magnetismo 2D
dc.subject.keyword	DFT
dc.subject.keyword	Density functional theory
dc.subject.keyword	Chern insulator
dc.subject.keyword	Chern invariant
dc.subject.keyword	Topological Materials
dc.subject.keyword	Transition metal halides
dc.subject.keyword	2D materials
dc.subject.keyword	2D magnetism
dc.title	Magnetism and topological features in the novel 2D systems of osmium-based halides OsX3(X:Cl,Br,I)
dc.title.english	Magnetism and topological features in the novel 2D systems of osmium-based halides OsX3(X:Cl,Br,I)
dc.type.coar	http://purl.org/coar/resource_type/c_7a1f
dc.type.hasversion	http://purl.org/coar/version/c_b1a7d7d4d402bcce
dc.type.local	Tesis/Trabajo de grado - Monografía - Pregrado
dspace.entity.type