Electrical conductivity of Li doped MnO

Crevecoeur, C.; Wit, H.J. de

doi:10.1016/0022-3697(70)90212-x

Cited by 62 publications

(28 citation statements)

References 16 publications

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“…Since ZnO, CdO, and SnO 2 are known to be predominantly n‐type, we provide electron masses for those. For MnO and NiO, we compute hole masses due to the interesting possibility of p‐type conductivity . While the conduction band minimum appears at the Γ point for ZnO, CdO, and SnO 2 , the valence‐band maximum is located at the T point for MnO and NiO.…”

Section: Effective Electron and Hole Massesmentioning

confidence: 99%

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Photoemission spectra and effective masses of n‐ and p‐type oxide semiconductors from first principles: ZnO, CdO, SnO₂, MnO, and NiO

Rödl

Schleife

2013

Physica Status Solidi (a)

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While there is a persistent interest in oxides, e.g., for semiconductor technology or optoelectronics, it seems to be difficult to achieve n‐type and p‐type doping for one and the same material. At the same time, it is important to understand the electronic structure for both types of doping individually. In this work, we use modern electronic‐structure calculations to compute the density of states as well as effective electron and hole masses for n‐type (ZnO, CdO, SnO2) and p‐type (MnO, NiO) oxide materials. We establish our ab initio electronic structures by comparison to photoemission experiments at various incident photon energies. Taking into account the photoionization cross‐sections, we are able to analyze the contributions of different atomic states and to verify the results by comparison to measured data. Based on these electronic structures, we calculate free‐electron and free‐hole masses as well as their dependence on the concentration of free carriers in the system. For SnO2, we compare with experimental results from another article (see M. Feneberg et al., Phys. Status Solidi A, DOI 10.1002/pssa.201330147 (2013) ) in this special issue.

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Section: Effective Electron and Hole Massesmentioning

confidence: 99%

“…However, this seems to be very tricky for many oxides. For this reason, we investigate different oxides for which it is known that they are either good electron conductors (CdO, ZnO, SnO 2 ) or potentially interesting materials for hole conductivity (MnO, NiO) .…”

Section: Introductionmentioning

confidence: 99%

Photoemission spectra and effective masses of n‐ and p‐type oxide semiconductors from first principles: ZnO, CdO, SnO₂, MnO, and NiO

Rödl

Schleife

2013

Physica Status Solidi (a)

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“…[1][2][3] The presence of such a localized charge affects the physical and chemical properties of the hosting material, with a local alteration of the bond lengths, a change of the formal valence at the specific polaronic site, and the emergence of a characteristic peak localized in the gap region. [4][5][6][7] Small polarons play a decisive role in electron transport, 8,9 optical absorption, and chemical reactivity, and have crucial implications in other diverse phenomena including high-T c superconductivity, 10 colossal magnetoresistance, 11,12 thermoelectricity, 13 photoemission, 14 and photochemistry. 15 Here we focus on the (110) surface of rutile TiO 2 , TiO 2 (110), a highly studied oxide surface 16 for which the presence of small polarons was predicted by different computational approaches [17][18][19][20] and confirmed by several experiments.…”

Section: Introductionmentioning

confidence: 99%

Formation and dynamics of small polarons on the rutile TiO2 (110) surface

et al. 2018

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Charge trapping and formation of polarons is a pervasive phenomenon in transition metal oxide compounds, in particular at the surface, affecting fundamental physical properties and functionalities of the hosting materials. Here we investigate via first-principle techniques the formation and dynamics of small polarons on the reduced surface of titanium dioxide, an archetypal system for polarons, for a wide range of oxygen vacancy concentrations. We report how the essential features of polarons can be adequately accounted in terms of few quantities: the local structural and chemical environment, the attractive interaction between negatively charged polarons and positively charged oxygen vacancies, and the spin-dependent polaron-polaron Coulomb repulsion. We combined molecular dynamics simulations on realistic samples derived from experimental observations with simplified static models, aiming to disentangle the various variables at play. We find that depending on the specific trapping site, different types of polarons can be formed, with distinct orbital symmetries and different degree of localization and structural distortion. The energetically most stable polaron site is the subsurface Ti atom below the undercoordinated surface Ti atom, owing to a small energy cost to distort the lattice and a suitable electrostatic potential. Polaron-polaron repulsion and polaron-vacancy attraction determine the spatial distribution of polarons as well as the energy of the polaronic in-gap state. In the range of experimentally reachable oxygen vacancy concentrations the calculated data are in excellent agreement with observations, thus validating the overall interpretation.arXiv:1805.01849v1 [cond-mat.mtrl-sci]

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“…15 Figure 4 shows the electrical transport properties of the vacuum-prepared La 0.67 Sr 0.33 MnO 3 thin films before and after annealing. For the as-grown thin films, although they contain both ͑La 0.67 Sr 0.33 ͒ 2 MnO 4 phase and MnO phase, the former dominates the transport property because MnO is an insulator 17 and is embedded in the matrix ͑La 0.67 Sr 0.33 ͒ 2 MnO 4 phase as unconnected inclusions, as seen in Fig. 2͑a͒.…”

Section: Methodsmentioning

confidence: 99%

Electrical transport and magnetic properties of a possible electron-doped layered manganese oxide

Zhao

Ogale

et al. 2000

Phys. Rev. B

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We report on the structural, transport, and magnetic properties of La 0.67 Sr 0.33 MnO x thin films grown in vacuum by pulsed-laser deposition. The as-grown thin films have both the matrix La 1.34 Sr 0.66 MnO 4 phase with K 2 NiF 4 structure and an embedded MnO phase. The electrical transport and magnetic properties of the films are determined mainly by those of the matrix phase. By annealing, the as-grown thin films can be transformed into the normal La 0.67 Sr 0.33 MnO 3 single phase, which shows the expected colossal magnetoresistance effect. Based on the composition of the matrix phase, and the structural, electrical, and magnetic properties of the films, we propose that the matrix phase is possibly electron doped with a mixed valence of Mn 2ϩ /Mn 3ϩ instead of the Mn 3ϩ /Mn 4ϩ as in the hole-doped case.

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Electrical conductivity of Li doped MnO

Cited by 62 publications

References 16 publications

Photoemission spectra and effective masses of n‐ and p‐type oxide semiconductors from first principles: ZnO, CdO, SnO₂, MnO, and NiO

Photoemission spectra and effective masses of n‐ and p‐type oxide semiconductors from first principles: ZnO, CdO, SnO₂, MnO, and NiO

Formation and dynamics of small polarons on the rutile TiO2 (110) surface

Electrical transport and magnetic properties of a possible electron-doped layered manganese oxide

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Electrical conductivity of Li doped MnO

Cited by 62 publications

References 16 publications

Photoemission spectra and effective masses of n‐ and p‐type oxide semiconductors from first principles: ZnO, CdO, SnO2, MnO, and NiO

Photoemission spectra and effective masses of n‐ and p‐type oxide semiconductors from first principles: ZnO, CdO, SnO2, MnO, and NiO

Formation and dynamics of small polarons on the rutile TiO2 (110) surface

Electrical transport and magnetic properties of a possible electron-doped layered manganese oxide

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Photoemission spectra and effective masses of n‐ and p‐type oxide semiconductors from first principles: ZnO, CdO, SnO₂, MnO, and NiO

Photoemission spectra and effective masses of n‐ and p‐type oxide semiconductors from first principles: ZnO, CdO, SnO₂, MnO, and NiO