Critical Neutron Scattering in SrTi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and KMn<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

Shapiro, S. M.; Axe, J. D.; Shirane, G.; Riste, T.

doi:10.1103/physrevb.6.4332

Cited by 412 publications

(138 citation statements)

References 23 publications

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“…Its electronic, transport, ferroelectric, catalytic, and dielectric properties have been widely studied. [18][19][20][21] Interestingly, the lattice match of KTO with STO is much better than that of LAO with STO. As a consequence, KTO is a promising material for application as an insulator in STO-based field-effect devices.…”

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confidence: 99%

“…We note that due to interstitial electronic states, outside the muffin-tin spheres, this charge transfer in reality is stronger than reflected by the following values. While the muffin-tin charges in the bulk compounds amount to 19 The described modifications of the orbital occupations can be related to significant changes in the TM-O bonding. In general, a TM-O bond is characterized by a very strong transfer of charge from the TM to the O atoms.…”

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Charge transfer mechanism for the formation of metallic states at the KTaO3/SrTiO3interface

2011

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The electronic and optical properties of the KTaO 3 /SrTiO 3 heterointerface are analyzed by the full-potential linearized augmented plane-wave approach of density functional theory. Optimization of the atomic positions points at subordinate changes in the crystal structure and chemical bonding near the interface, which is due to a minimal lattice mismatch. The creation of metallic interface states thus is not affected by structural relaxation but can be explained by charge transfer between transition metal and oxygen atoms. It is to be expected that a charge transfer is likewise important for related interfaces such as LaAlO 3 /SrTiO 3 . The KTaO 3 /SrTiO 3 system is ideal for disentangling the complex behavior of metallic interface states, since almost no structural relaxation takes place. During the past decade, heterointerfaces based on perovskite transition metal oxides have attracted a great deal of attention due to the discovery of remarkable electronic and magnetic properties. They are of special importance for device applications, such as field effect transistors, bipolar transistors, and light emitting diodes. 1,2 Ohtomo and Hwang 3 have reported on metallicity at the interface between LaAlO 3 and SrTiO 3 , two insulators with sizable band gaps of 5.6 and 3.2 eV, respectively. The creation of metallic states is intimately connected to the structural relaxation. 4 The high mobility of the charge carriers at this interface has initiated many investigations, 5,6 as did the discovery of superconductivity at low temperature. 7 However, despite huge experimental and theoretical efforts, many aspects of the physical picture of the LaAlO 3 /SrTiO 3 (LAO/STO) interface remain open. [8][9][10][11][12][13] To a large extent, this appears to be the result of a complex interplay between structural and electronic reconstructions as well as defects. 14 An essential ingredient of the electronic reconstruction is the transfer of charge between different orbitals, i.e., alterations of the orbital occupations, which can modify the electronic properties of transition metal oxides significantly. 15 An interesting system to disentangle the effects of the charge transfer from other parameters is the KTaO 3 /SrTiO 3 (KTO/STO) heterointerface. KTO has an insulting band gap of 3.75 eV and does not show the ferroelectric phase transition that is common for perovskites. 16,17 The band gap of STO amounts to 3.2 eV. Its electronic, transport, ferroelectric, catalytic, and dielectric properties have been widely studied. [18][19][20][21] Interestingly, the lattice match of KTO with STO is much better than that of LAO with STO. As a consequence, KTO is a promising material for application as an insulator in STO-based field-effect devices. Recently, Kalabukhov et al. 22 have investigated the KTO/STO interface experimentally and found close relations to the LAO/STO interface, even though at the (KO) − (TiO 2 ) 0 contact 0.5 holes per unit cell are transferred, while at the (LaO) + (TiO2) 0 contact 0.5 electrons are transferred.The elect...

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Charge transfer mechanism for the formation of metallic states at the KTaO3/SrTiO3interface

2011

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“…A relatively simple dispersion is described in the phenomenological model developed in Ref. [17] to reproduce the central peak in the high-temperature phase of strontium titanate. Such a dispersion can be understood as a result of the linear coupling between the order-parameter and a relaxational variable ξ = (ξ 1 , ξ 2 ) [10,18].…”

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Explanation of the Glasslike Anomaly in the Low-Temperature Specific Heat of Incommensurate Phases

Cano

Levanyuk

2004

Phys. Rev. Lett.

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An explanation for the glass-like anomaly observed in the low-temperature specific heat of incommensurate phases is proposed. The key point of this explanation is the proper account for the phason damping when computing the thermodynamic magnitudes. The low-temperature specific heat of the incommensurate phases is discussed within three possible scenarios for the phason dynamics: no phason gap, static phason gap and a phason gap of dynamical origin. Existing NMR and inelastic scattering data indicate that these scenarios are possible in biphenyl, blue bronze K0.30MoO3 and BCPS respectively. Estimates of the corresponding low-temperature specific heat are in reasonable agreement with the experiments.

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“…et on montre que [53], sous certaines conditions, le profil de raie se décompose alors en un oscillateur de fréquence propre T , et une composante quasi-élastique de largeur 1/ = (1/ )( 2 T − 2 )/ 2 T . La température de transition est donnée par la divergence de la susceptibilité statique couplée :…”

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Transitions de phase structurales

Currat

2010

JDN 16 – Diffusion Inélastique Des Neutrons Pour l'Etude Des Excitations Dans La Matiére Condensée

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Abstract. We review the characteristic features of the two main categories of structural phase transitions (displacive and order/disorder), with respect to static properties (order parameter) as well as dynamical aspects (critical fluctuations). We describe of few examples of displacive transitions (ferroelectric and antiferrodistortive transitions in perovskites, incommensurate phases in dielectrics, low-D metals and molecular crystals), with emphasis on the dynamical aspects (soft mode, central peak) and on the relevant experimental techniques, inelastic neutron scattering in particular.Résumé. On rappelle les caractéristiques principales des deux catégories de transitions de phase structurales (displacives et ordre/désordre), du point de vue des propriétés statiques (paramètre d'ordre) et dynamiques (fluctuations critiques). On décrit quelques exemples de transitions displacives (transitions ferroélectrique et antiferrodistortive dans les pérovskites, phases incommensurables dans les diélectriques, les métaux de basse dimensionnalité et les cristaux moléculaires), en mettant l'accent sur les aspects dynamiques (mode mou, pic central) et sur les techniques expérimentales qui permettent leur étude, la diffusion inélastique des neutrons, notamment.

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Critical Neutron Scattering in SrTiO3and KMnF3

Cited by 412 publications

References 23 publications

Charge transfer mechanism for the formation of metallic states at the KTaO3/SrTiO3interface

Charge transfer mechanism for the formation of metallic states at the KTaO3/SrTiO3interface

Explanation of the Glasslike Anomaly in the Low-Temperature Specific Heat of Incommensurate Phases

Transitions de phase structurales

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