2D nature of magnetic states at SnO2 surfaces: a combined
experimental and theoretical study

J 2024

2D nature of magnetic states at SnO2 surfaces: a combined experimental and theoretical study

NGUYEN, Hoa Hong, Martin FRIÁK, Petr PAZOUREK, Sy Nguyen PHAM, Quynh Nhu Thi TRAN et. al.

Basic information

Original name

2D nature of magnetic states at SnO2 surfaces: a combined experimental and theoretical study

Authors

NGUYEN, Hoa Hong (250 France, guarantor, belonging to the institution), Martin FRIÁK (203 Czech Republic, belonging to the institution), Petr PAZOUREK (203 Czech Republic, belonging to the institution), Sy Nguyen PHAM (704 Viet Nam, belonging to the institution), Quynh Nhu Thi TRAN (704 Viet Nam, belonging to the institution), Michal KIABA (703 Slovakia, belonging to the institution), Kristýna GAZDOVÁ (203 Czech Republic, belonging to the institution) and Jana PAVLŮ (203 Czech Republic, belonging to the institution)

Edition

RSC Advances, Royal Society of Chemistry, 2024, 2046-2069

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10302 Condensed matter physics

Country of publisher

United Kingdom of Great Britain and Northern Ireland

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

URL

Impact factor

Impact factor: 3.900 in 2022

Organization unit

Faculty of Science

DOI

http://dx.doi.org/10.1039/d4ra00734d

UT WoS

001208007500001

Keywords in English

2D; nanomaterials; ferromagnetism; magnetic semiconductors; defects

Abstract

V originále

For undoped SnO2, room temperature ferromagnetism could be seen uniquely in 2-dimensional configurations, particularly in ultra-thin films (whose thickness is ideally below 100 nm). Both bulk samples and nano-powders of pristine SnO2 are diamagnetic, indicating that a 2D surface is a key point in shaping up the magnetic properties in SnO2. As a complement to our experiments, we have performed a series of quantum-mechanical calculations for the bulk rutile-structure SnO2 as well as its (001) and (101) surfaces. The calculations included several atomic configurations with and without vacancies in/under the studied surfaces. The stability of the non-magnetic ground state of rutile SnO2 bulk was cross-checked and confirmed by its phonon spectrum computed within the harmonic approximation. Regarding the surfaces, the bulk-like (001) surface containing Sn vacancies has turned out to be ferromagnetic, while the shift of Sn vacancies under the surface resulted in a more complex ferrimagnetic state. The bulk-like (001) surface without vacancies and that with the O vacancies are predicted to be non-magnetic. Regarding the (101) surfaces, those terminated by a single layer of oxygen atoms and those terminated by tin atoms are non-magnetic, while a surface terminated by two layers of oxygen has turned out to be ferromagnetic.

Links

EH22_008/0004572, research and development project

Name: Kvantové materiály pro aplikace v udržitelných technologiích

GA22-21547S, research and development project

Name: Původ feromagnetismu při pokojové teplotě v tenkých vrstvách nedopovaných polovodičových oxidů typu d0

Investor: Czech Science Foundation

MUNI/A/1575/2023, interní kód MU

Name: Metody chemické a fyzikálně-chemické analýzy pro studium přírodních a syntetických materiálů.

Investor: Masaryk University, Methods of chemical and physico-chemical analysis for the study of natural and synthetic materials.

90110, large research infrastructures

Name: CzechNanoLab

90140, large research infrastructures

Name: e-INFRA CZ

Citovat

NGUYEN, Hoa Hong, Martin FRIÁK, Petr PAZOUREK, Sy Nguyen PHAM, Quynh Nhu Thi TRAN, Michal KIABA, Kristýna GAZDOVÁ and Jana PAVLŮ. 2D nature of magnetic states at SnO2 surfaces: a combined experimental and theoretical study. RSC Advances. Royal Society of Chemistry, 2024, vol. 14, No 19, p. 13583-13590. ISSN 2046-2069. Available from: https://dx.doi.org/10.1039/d4ra00734d.

@article{2396997,
   author = {NGUYEN, Hoa Hong and Friák, Martin and Pazourek, Petr and Pham, Sy Nguyen and Tran, Quynh Nhu Thi and Kiaba, Michal and Gazdová, Kristýna and Pavlů, Jana},
   article_number = {19},
   doi = {http://dx.doi.org/10.1039/d4ra00734d},
   keywords = {2D; nanomaterials; ferromagnetism; magnetic semiconductors; defects},
   language = {eng},
   issn = {2046-2069},
   journal = {RSC Advances},
   title = {2D nature of magnetic states at SnO2 surfaces: a combined experimental and theoretical study},
   url = {https://pubs.rsc.org/en/content/articlelanding/2024/ra/d4ra00734d},
   volume = {14},
   year = {2024}
}

TY  - JOUR
ID  - 2396997
AU  - NGUYEN, Hoa Hong - Friák, Martin - Pazourek, Petr - Pham, Sy Nguyen - Tran, Quynh Nhu Thi - Kiaba, Michal - Gazdová, Kristýna - Pavlů, Jana
PY  - 2024
TI  - 2D nature of magnetic states at SnO2 surfaces: a combined experimental and theoretical study
JF  - RSC Advances
VL  - 14
IS  - 19
SP  - 13583-13590
EP  - 13583-13590
PB  - Royal Society of Chemistry
SN  - 20462069
KW  - 2D
KW  - nanomaterials
KW  - ferromagnetism
KW  - magnetic semiconductors
KW  - defects
UR  - https://pubs.rsc.org/en/content/articlelanding/2024/ra/d4ra00734d
N2  - For undoped SnO2, room temperature ferromagnetism could be seen uniquely in 2-dimensional configurations, particularly in ultra-thin films (whose thickness is ideally below 100 nm). Both bulk samples and nano-powders of pristine SnO2 are diamagnetic, indicating that a 2D surface is a key point in shaping up the magnetic properties in SnO2. As a complement to our experiments, we have performed a series of quantum-mechanical calculations for the bulk rutile-structure SnO2 as well as its (001) and (101) surfaces. The calculations included several atomic configurations with and without vacancies in/under the studied surfaces. The stability of the non-magnetic ground state of rutile SnO2 bulk was cross-checked and confirmed by its phonon spectrum computed within the harmonic approximation. Regarding the surfaces, the bulk-like (001) surface containing Sn vacancies has turned out to be ferromagnetic, while the shift of Sn vacancies under the surface resulted in a more complex ferrimagnetic state. The bulk-like (001) surface without vacancies and that with the O vacancies are predicted to be non-magnetic. Regarding the (101) surfaces, those terminated by a single layer of oxygen atoms and those terminated by tin atoms are non-magnetic, while a surface terminated by two layers of oxygen has turned out to be ferromagnetic.
ER  -

NGUYEN, Hoa Hong, Martin FRIÁK, Petr PAZOUREK, Sy Nguyen PHAM, Quynh Nhu Thi TRAN, Michal KIABA, Kristýna GAZDOVÁ and Jana PAVLŮ. 2D nature of magnetic states at SnO2 surfaces: a combined experimental and theoretical study. \textit{RSC Advances}. Royal Society of Chemistry, 2024, vol.~14, No~19, p.~13583-13590. ISSN~2046-2069. Available from: https://dx.doi.org/10.1039/d4ra00734d.

Detailed Information on Publication Record