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.

Základní údaje

Originální název

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

Autoři

NGUYEN, Hoa Hong (250 Francie, garant, domácí), Martin FRIÁK (203 Česká republika, domácí), Petr PAZOUREK (203 Česká republika, domácí), Sy Nguyen PHAM (704 Vietnam, domácí), Quynh Nhu Thi TRAN (704 Vietnam, domácí), Michal KIABA (703 Slovensko, domácí), Kristýna GAZDOVÁ (203 Česká republika, domácí) a Jana PAVLŮ (203 Česká republika, domácí)

Vydání

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

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10302 Condensed matter physics

Stát vydavatele

Velká Británie a Severní Irsko

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 3.900 v roce 2022

Organizační jednotka

Přírodovědecká fakulta

DOI

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

UT WoS

001208007500001

Klíčová slova anglicky

2D; nanomaterials; ferromagnetism; magnetic semiconductors; defects

Štítky

rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 4. 10. 2024 10:03, Mgr. Pavla Foltynová, Ph.D.

Anotace

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.

Návaznosti

EH22_008/0004572, projekt VaV

Název: Kvantové materiály pro aplikace v udržitelných technologiích

GA22-21547S, projekt VaV

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

Investor: Grantová agentura ČR, Původ feromagnetismu při pokojové teplotě v tenkých vrstvách nedopovaných polovodičových oxidů typu d0

90110, velká výzkumná infrastruktura

Název: CzechNanoLab

90140, velká výzkumná infrastruktura

Název: e-INFRA CZ

Citovat

NGUYEN, Hoa Hong, Martin FRIÁK, Petr PAZOUREK, Sy Nguyen PHAM, Quynh Nhu Thi TRAN, Michal KIABA, Kristýna GAZDOVÁ a Jana PAVLŮ. 2D nature of magnetic states at SnO2 surfaces: a combined experimental and theoretical study. RSC Advances. Royal Society of Chemistry, 2024, roč. 14, č. 19, s. 13583-13590. ISSN 2046-2069. Dostupné z: 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 a Jana PAVLŮ. 2D nature of magnetic states at SnO2 surfaces: a combined experimental and theoretical study. \textit{RSC Advances}. Royal Society of Chemistry, 2024, roč.~14, č.~19, s.~13583-13590. ISSN~2046-2069. Dostupné z: https://dx.doi.org/10.1039/d4ra00734d.

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