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; Martin FRIÁK; Petr PAZOUREK ; Sy Nguyen PHAM; Quynh Nhu Thi TRAN; Michal KIABA; Kristýna GAZDOVÁ a Jana PAVLŮ

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: 4.600

Kód RIV

RIV/00216224:14310/24:00135881

Organizační jednotka

Přírodovědecká fakulta

DOI

https://doi.org/10.1039/d4ra00734d

UT WoS

001208007500001

EID Scopus

2-s2.0-85191293225

Klíčová slova anglicky

2D; nanomaterials; ferromagnetism; magnetic semiconductors; defects

Štítky

14312020, 14313010, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 5. 11. 2024 16:08, 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

MUNI/A/1575/2023, interní kód MU

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

Investor: Masarykova univerzita, Metody chemické a fyzikálně-chemické analýzy pro studium přírodních a syntetických materiálů.

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://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 = {https://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://doi.org/10.1039/d4ra00734d.

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