Possible room-temperature ferromagnetism in K-doped<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>SnO</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>: X-ray diffraction and high-resolution transmission electron microscopy study

Srivastava, S. K.; Léjay, P.; Barbara, B.; Pailhés, S.; Madigou, V.; Bouzerar, Georges

doi:10.1103/physrevb.82.193203

Cited by 68 publications

(23 citation statements)

References 12 publications

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“…LDA /GGA or LDA/GGA+U usually predicts a trend or possibility of magnetism. For example, the LDA predicted possible magnetism of C-doped SnO 2 24 is in good agreement with the experimental work 28 . Therefore, we mainly used LDA+U to predict the true impurity bands and defect formation energies of Li-doped SnO 2 (001).…”

supporting

confidence: 76%

“…24,25 Recent theoretical calculations further show that magnetism can be induced with NM impurities. [2][3][4]26,27 A good example of NM impurity is carbon, which has been shown theoretically and experimentally that C-doped SnO 2 films can exhibit feromagnetic behaviour at room temperature, 24,28 where C does not induce magnetism in bulk SnO 2 , when located at the oxygen site. 24,28 Now, it is a firm belief that magnetism in NM hosts can be tuned either by vacancies or light elements.…”

mentioning

confidence: 99%

“…With DFT, many new materials have been discovered and then synthesised. [1][2][3][4][5] DFT has also predicted spin polarized materials [6][7][8] . One of the new materials is oxide-based diluted magnetic semiconductor, which has potential applications in spintronics.…”

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confidence: 99%

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Spin-polarized surface state in Li-doped SnO₂(001)

Din

Rahman

2014

RSC Adv.

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Using LDA+U , we investigate Li-doped rutile SnO2(001) surface. The surface defect formation energy shows that it is easier for Li to be doped at surface Sn site than bulk Sn site in SnO2. Li at surface and sub-surface Sn sites has a magnetic ground state, and the induced magnetic moments are not localized at Li site, but spread over Sn and O sites. The surface electronic structures show that Li at surface Sn site shows 100% spin-polarization (half metallic), whereas Li at sub-surface Sn site does not have half metallic state due to Li-Sn hybridized orbitals. The spin-polarized surface has a ferromagnetic ground state, therefore, ferromagnetism is expected in Li-doped SnO2(001) surface.In the past, decade density functional theory (DFT) has proven to be a predictive tool to discover new materials for certain applications, specially in the area of magnetism. With DFT, many new materials have been discovered and then synthesised.1-5 DFT has also predicted spin polarized materials [6][7][8] . One of the new materials is oxide-based diluted magnetic semiconductor, which has potential applications in spintronics. The main quest in this area is to discover magnetic materials having transition temperature (T c ), which is the temperature at which a system changes from a paramagnetic(disorder phase) to a magnetic phase(order phase), well above room temperature and large magnetization and spin-polarization. With this hope, transition-metals (TMs) were doped into nonmagnetic (NM) semiconductor hosts, 9,10 but later on these TM doped systems were found to have inherent issues, i.e., clustering, antisite defects. 11SnO 2 -based diluted system evoked particular attention when S. B. Ogale et al.12 found a giant magnetic moment (GMM) in Co-doped SnO 2 . Following this discovery, TM doped-SnO 2 has been extensively studied both experimentally and theoretically.13-19 Later on in 2008, our theoretical calculations showed that the Sn vacancies are responsible for magnetism in SnO 2 .20 This opened a new area of magnetism, where magnetism is made possible without doping of magnetic impurities, which are confirmed experimentally. [21][22][23] To go beyond vacancy-induced magnetism, we also proposed possible magnetism induced by light elements, e.g., C, and Li. 24,25Recent theoretical calculations further show that magnetism can be induced with NM impurities.2-4,26,27 A good example of NM impurity is carbon, which has been shown theoretically and experimentally that C-doped SnO 2 films can exhibit feromagnetic behaviour at room temperature, 24,28 where C does not induce magnetism in bulk SnO 2 , when located at the oxygen site.24,28 Now, it is a firm belief that magnetism in NM hosts can be tuned either by vacancies or light elements. In oxides, the magnetic vacancies can be created either at cation site or anion site. Most of the theoretical work show that the cation vacancies are magnetic, 29-32 but there has remained an open question that how to stabilize magnetic vacancies due to their higher formation energies? Very recently, th...

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confidence: 76%

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confidence: 99%

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Spin-polarized surface state in Li-doped SnO₂(001)

Din

Rahman

2014

RSC Adv.

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“…It has also been found that even nonmagnetic-nonmetallic atoms like C, N, and nonmagnetic, alkali metallic atoms like Mg, K can also induce magnetism in oxides. 23,47 Nanoparticles having radius of only a few nanometers will have a large surface-to-volume ratio. The effect of surfaces in inducing the magnetism in oxide nanoparticles while doped with either magnetic or nonmagnetic atoms has not been investigated in detail.…”

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confidence: 99%

Magnetism of Zn-doped SnO2: Role of surfaces

Pushpa

Ramanujam

2014

Journal of Applied Physics

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Surface effects on the magnetization of Zn-doped SnO2 are investigated using first principles method. Magnetic behavior of Zn-doped bulk and highest and lowest energy surfaces—(001) and (110), respectively, are investigated in presence and absence of other intrinsic defects. The Zn-doped (110) and (001) surfaces of SnO2 show appreciable increase in the magnetic moment (MM) compared to Zn-doped bulk SnO2. Formation energies of Zn defects on both the surfaces are found to be lower than those in bulk SnO2. Zn doping favors the formation of oxygen vacancies. The density of states analysis on the Zn-doped (110) surface reveals that the spin polarization of the host band occurs primarily from p-orbitals of bridging oxygen atoms and the Zn atom itself contributes minimally. The present work provides a key understanding on the role played by the surfaces in inducing the magnetism of doped nanoparticles and thin films.

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“…[8][9][10][11][12][13] Following the prediction of magnetism without TM impurities, much interest was also diverted to magnetism induced by light element doping in host semiconductor matrices, e.g., K, N, Mg, and C-doped SnO 2 . [14][15][16][17][18] There are experimental evidences which clearly demonstrate room temperature FM induced by light elements. 19,20 However, the exact nature of magnetism in these semiconductor oxides is still under debate.…”

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confidence: 99%

Stabilizing intrinsic defects in SnO2

et al. 2013

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The magnetism and electronic structure of Li-doped SnO 2 are investigated using first-principles LDA/LDA+U calculations. We find that Li induces magnetism in SnO 2 when doped at the Sn site but becomes nonmagnetic when doped at the O and interstitial sites. The calculated formation energies show that Li prefers the Sn site as compared with the O site, in agreement with previous experimental works. The interaction of Li with native defects (Sn V Sn and O V O vacancies) is also studied, and we find that Li not only behaves as a spin polarizer, but also a vacancy stabilizer, i.e., Li significantly reduces the defect formation energies of the native defects and helps the stabilization of magnetic oxygen vacancies. The electronic densities of states reveals that these systems, where the Fermi level touches the conduction (valence) band, are nonmagnetic (magnetic).

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Possible room-temperature ferromagnetism in K-dopedSnO2: X-ray diffraction and high-resolution transmission electron microscopy study

Cited by 68 publications

References 12 publications

Spin-polarized surface state in Li-doped SnO₂(001)

Spin-polarized surface state in Li-doped SnO₂(001)

Magnetism of Zn-doped SnO2: Role of surfaces

Stabilizing intrinsic defects in SnO2

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Possible room-temperature ferromagnetism in K-dopedSnO2: X-ray diffraction and high-resolution transmission electron microscopy study

Cited by 68 publications

References 12 publications

Spin-polarized surface state in Li-doped SnO2(001)

Spin-polarized surface state in Li-doped SnO2(001)

Magnetism of Zn-doped SnO2: Role of surfaces

Stabilizing intrinsic defects in SnO2

Contact Info

Product

Resources

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Spin-polarized surface state in Li-doped SnO₂(001)

Spin-polarized surface state in Li-doped SnO₂(001)