Enhancement of weak ferromagnetism, exotic structure prediction and diverse electronic properties in holmium substituted multiferroic bismuth ferrite
Само за регистроване кориснике
2023
Аутори
Čebela, MariaZagorac, Dejan
Popov, Igor
Torić, Filip
Klaser, Teodoro
Skoko, Željko
Pajić, Damir
Чланак у часопису (Рецензирана верзија)
Метаподаци
Приказ свих података о документуАпстракт
Bismuth ferrite (BFO, BiFeO3), exhibiting both ferromagnetic and ferroelectric properties at room
temperature, is one of the most researched multiferroic materials with a growing number of technological applications. In the present study, using a combined theoretical–experimental approach, we have investigated the influence of Ho-doping on the structural, electronic and magnetic properties of BFO. Synthesis and structural XRD characterization of Bi1 xHoxFeO3 (x = 0.02, 0.05, and 0.10) nanopowders have been completed. After structure prediction of Ho-doped BiFeO3 using bond valence calculations (BVC), six most favorable candidates were found: a-, b-, g-, R-, T1, and T2. Furthermore, all structure candidates have been examined for different magnetic ordering using DFT calculations. The magnetic behavior of the synthesized materials was investigated using a SQUID magnetometer equipped with an oven. The plethora of magnetic and electronic properties of the Ho-doped BFO that our theoretica...l research predicted can open up rich possibilities for further investigation and eventual applications.
Кључне речи:
Bismuth ferrite / Perovskite / Multiferroic / Characterization / Density functional theory / Bond valence calculations / Structural prediction / Electronic properties / Magnetic propertiesИзвор:
Physical Chemistry Chemical Physics, 2023, 25, 22345-22358Издавач:
- Royal Society of Chemistry
Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200053 (Универзитет у Београду, Институт за мултидисциплинарна истраживања) (RS-MESTD-inst-2020-200053)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200017 (Универзитет у Београду, Институт за нуклеарне науке Винча, Београд-Винча) (RS-MESTD-inst-2020-200017)
- ERC Consolidator grant no. 725521
- COST Action CA17123-Ultrafast opto-magneto-electronics for non-dissipative information technology (MAGNETOFON)
- Competitiveness and Cohesion Operational Programme (grant KK.01.1.1.02.0013)
Институција/група
Institut za multidisciplinarna istraživanjaTY - JOUR AU - Čebela, Maria AU - Zagorac, Dejan AU - Popov, Igor AU - Torić, Filip AU - Klaser, Teodoro AU - Skoko, Željko AU - Pajić, Damir PY - 2023 UR - http://rimsi.imsi.bg.ac.rs/handle/123456789/3031 AB - Bismuth ferrite (BFO, BiFeO3), exhibiting both ferromagnetic and ferroelectric properties at room temperature, is one of the most researched multiferroic materials with a growing number of technological applications. In the present study, using a combined theoretical–experimental approach, we have investigated the influence of Ho-doping on the structural, electronic and magnetic properties of BFO. Synthesis and structural XRD characterization of Bi1 xHoxFeO3 (x = 0.02, 0.05, and 0.10) nanopowders have been completed. After structure prediction of Ho-doped BiFeO3 using bond valence calculations (BVC), six most favorable candidates were found: a-, b-, g-, R-, T1, and T2. Furthermore, all structure candidates have been examined for different magnetic ordering using DFT calculations. The magnetic behavior of the synthesized materials was investigated using a SQUID magnetometer equipped with an oven. The plethora of magnetic and electronic properties of the Ho-doped BFO that our theoretical research predicted can open up rich possibilities for further investigation and eventual applications. PB - Royal Society of Chemistry T2 - Physical Chemistry Chemical Physics T1 - Enhancement of weak ferromagnetism, exotic structure prediction and diverse electronic properties in holmium substituted multiferroic bismuth ferrite EP - 22358 SP - 22345 VL - 25 DO - 10.1039/D3CP03259K ER -
@article{ author = "Čebela, Maria and Zagorac, Dejan and Popov, Igor and Torić, Filip and Klaser, Teodoro and Skoko, Željko and Pajić, Damir", year = "2023", abstract = "Bismuth ferrite (BFO, BiFeO3), exhibiting both ferromagnetic and ferroelectric properties at room temperature, is one of the most researched multiferroic materials with a growing number of technological applications. In the present study, using a combined theoretical–experimental approach, we have investigated the influence of Ho-doping on the structural, electronic and magnetic properties of BFO. Synthesis and structural XRD characterization of Bi1 xHoxFeO3 (x = 0.02, 0.05, and 0.10) nanopowders have been completed. After structure prediction of Ho-doped BiFeO3 using bond valence calculations (BVC), six most favorable candidates were found: a-, b-, g-, R-, T1, and T2. Furthermore, all structure candidates have been examined for different magnetic ordering using DFT calculations. The magnetic behavior of the synthesized materials was investigated using a SQUID magnetometer equipped with an oven. The plethora of magnetic and electronic properties of the Ho-doped BFO that our theoretical research predicted can open up rich possibilities for further investigation and eventual applications.", publisher = "Royal Society of Chemistry", journal = "Physical Chemistry Chemical Physics", title = "Enhancement of weak ferromagnetism, exotic structure prediction and diverse electronic properties in holmium substituted multiferroic bismuth ferrite", pages = "22358-22345", volume = "25", doi = "10.1039/D3CP03259K" }
Čebela, M., Zagorac, D., Popov, I., Torić, F., Klaser, T., Skoko, Ž.,& Pajić, D.. (2023). Enhancement of weak ferromagnetism, exotic structure prediction and diverse electronic properties in holmium substituted multiferroic bismuth ferrite. in Physical Chemistry Chemical Physics Royal Society of Chemistry., 25, 22345-22358. https://doi.org/10.1039/D3CP03259K
Čebela M, Zagorac D, Popov I, Torić F, Klaser T, Skoko Ž, Pajić D. Enhancement of weak ferromagnetism, exotic structure prediction and diverse electronic properties in holmium substituted multiferroic bismuth ferrite. in Physical Chemistry Chemical Physics. 2023;25:22345-22358. doi:10.1039/D3CP03259K .
Čebela, Maria, Zagorac, Dejan, Popov, Igor, Torić, Filip, Klaser, Teodoro, Skoko, Željko, Pajić, Damir, "Enhancement of weak ferromagnetism, exotic structure prediction and diverse electronic properties in holmium substituted multiferroic bismuth ferrite" in Physical Chemistry Chemical Physics, 25 (2023):22345-22358, https://doi.org/10.1039/D3CP03259K . .