scholarly journals Interactions of Ruddlesden-Popper Phases and Migration-Induced Field-Stabilized Polar Phase in Strontium Titanate

Crystals ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 693
Author(s):  
Christian Ludt ◽  
Elena Ovchinnikova ◽  
Anton Kulikov ◽  
Dmitri Novikov ◽  
Sibylle Gemming ◽  
...  
Keyword(s):  
Strontium Titanate ◽  
Density Functional ◽  
Surface Region ◽  
Point Of View ◽  
Polar Phase ◽  
Near Surface ◽  
Atomic Displacements ◽  
Induced Field ◽  
And Migration ◽  
Novel Concept

This work focuses on the validation of a possible connection of the known Ruddlesden-Popper (RP) phases and the novel concept of the migration-induced field-stabilized polar (MFP) phase. To study this subject, model structures of RP phases in bulk strontium titanate are analyzed by means of density functional theory (DFT). The obtained geometries are compared to experimental MFP data. Good agreement can be found concerning atomic displacements in the pm range and lattice strain inferred by the RP phases. Looking at the energy point of view, the defect structures are on the convex hull of the Gibb’s free energy. Although the dynamics to form the discussed defect models are not addressed in detail, the interplay and stability of the described defect model will add to the possible structure scenarios within the near-surface region of strontium titanate. As a result, it can be suggested that RP phases generally favor the MFP formation.

Short-range ordering of Cu3Au above Tc in the topmost 80 A of a (001) face

1997 ◽  
Vol 12 (1) ◽  
pp. 75-82 ◽  
Author(s):  
M. Kimura ◽  
J. B. Cohen ◽  
S. Chandavarkar ◽  
K. Liang
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Surface Region ◽  
Antiphase Domain ◽  
Range Order ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Diffuse Intensity ◽  
Near Surface ◽  
Atomic Displacements

The short-range order in the near surface region of the Cu3Au(001) face was investigated above the critical temperature by glancing-incidence x-ray diffraction, measuring the diffuse intensity throughout a two-dimensional region of reciprocal space. This intensity was analyzed quantitatively to obtain the two-dimensional Cowley–Warren short-range-order parameters and atomic displacements. Monte-Carlo simulation based on these values has revealed that the atomic configurations in the surface consist of ordered domains and clusters in a disordered matrix. There is a large number of {10} antiphase domain boundaries (APDB).

scholarly journals Defect separation in strontium titanate: Formation of a polar phase

2014 ◽  
Vol 70 (a1) ◽  
pp. C233-C233
Author(s):  
Juliane Hanzig ◽  
Matthias Zschornak ◽  
Erik Mehner ◽  
Florian Hanzig ◽  
Sven Jachalke ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electric Field ◽  
External Electric Field ◽  
Strontium Titanate ◽  
Unit Cell ◽  
Intrinsic Defect ◽  
Polar Phase ◽  
Electronic Band ◽  
Near Surface ◽  
Mobile Species

Stoichiometric perovskite-type strontium titanate acts as an insulator because of its wide electronic band gap and has therefore great potential as high-k dielectric and storage material in memory applications. Degradation phenomena of insulating properties of transition metal oxides occur during long time voltage application. From the defect chemistry point of view the question arises how mobile species react on an external electric field and which impact the redistribution has on the stability of the crystal structure. Here, we discuss near-surface reversible structural changes in SrTiO3 single crystals caused by oxygen vacancy redistribution in an external electric field. We present in-situ X-ray diffraction during and after electroformation. Several reflections are monitored and show a tetragonal elongation of the cubic unit cell. Raman investigations were carried out to verify that the expansion involves a transition from the centrosymmetric to a less symmetric structure. Regarding a whole formation cycle, two different time scales occur: a slow one during the increase of the lattice constant and a fast one after switching off the electric field. Based on the experimental data we suggest a model containing the formation of a polar SrTiO3 unit cell stabilized by the electric field, which is referred to as migration-induced field-stabilized polar phase [1] at room temperature. As expected by a non-centrosymmetric crystal structure, pyroelectric properties will be presented in conjunction with temperature modulated electroformation cycles. Furthermore, we show that intrinsic defect separation establishes a non-equilibrium accompanied by an electromotive force. A comprehensive thermodynamic deduction in terms of theoretical energy and entropy calculations indicates an exergonic electrochemical reaction after the electric field is switched off. Based on that driving force the experimental and theoretical proof of concept of a solid-state SrTiO3 battery is reported.

Fluorine-Silicon Reactions and the Etching of Crystalline Silicon

1988 ◽  
Vol 141 ◽  
Author(s):  
Chris G. Van De Walle ◽  
F. R. Mcfeely ◽  
S. T. Pantelides
Keyword(s):  
Density Functional ◽  
Semiconductor Device ◽  
Crystalline Silicon ◽  
State Of The Art ◽  
Density Functional Method ◽  
Surface Region ◽  
Functional Method ◽  
Device Fabrication ◽  
Near Surface ◽  
Comprehensive Picture

AbstractThe interaction between F atoms and crystalline Si, which is essential for etching processes in semiconductor device fabrication, is investigated with state-of-the-art theoretical techniques. The theory is based on the pseudopotential-density-functional method in a supercell geometry. A comprehensive picture of F reactions with the Si surface, the bulk, and the near-surface region is obtained, in terms of which the etching process is elucidated. Insertion of F into Si-Si bonds becomes possible because of relaxed steric constraints in the near-surface region. Dependence of the etch rate on doping follows naturally, in agreement with observations. Similarities and differences between F-Si and H-Si reactions are discussed.

Migration-induced field-stabilized polar phase in strontium titanate single crystals at room temperature

2013 ◽  
Vol 88 (2) ◽  
Author(s):  
Juliane Hanzig ◽  
Matthias Zschornak ◽  
Florian Hanzig ◽  
Erik Mehner ◽  
Hartmut Stöcker ◽  
...  
Keyword(s):  
Single Crystals ◽  
Strontium Titanate ◽  
Room Temperature ◽  
Polar Phase ◽  
Induced Field

scholarly journals Reversible Electric Field-Induced Structure Changes in the Near-Surface Region of Strontium Titanate

2006 ◽  
Vol 114 (1335) ◽  
pp. 1029-1037 ◽  
Author(s):  
Manfred BOBETH ◽  
Nayel FARAG ◽  
Alexander A. LEVIN ◽  
Dirk C. MEYER ◽  
Wolfgang POMPE ◽  
...  
Keyword(s):  
Electric Field ◽  
Strontium Titanate ◽  
Surface Region ◽  
Near Surface ◽  
Structure Changes ◽  
Induced Structure

Preparation of cross-sectional samples for near-surface TEM studies

1987 ◽  
Vol 45 ◽  
pp. 380-381
Author(s):  
R.C. Dickenson ◽  
K.R. Lawless
Keyword(s):  
Standard Sample ◽  
Surface Region ◽  
Specimen Preparation ◽  
Thick Sheet ◽  
Drill Bit ◽  
Sample Holder ◽  
Metal Interface ◽  
Cross Sectional ◽  
Near Surface ◽  
Cold Worked

In thermal oxidation studies, the structure of the oxide-metal interface and the near-surface region is of great importance. A technique has been developed for constructing cross-sectional samples of oxidized aluminum alloys, which reveal these regions. The specimen preparation procedure is as follows: An ultra-sonic drill is used to cut a 3mm diameter disc from a 1.0mm thick sheet of the material. The disc is mounted on a brass block with low-melting wax, and a 1.0mm hole is drilled in the disc using a #60 drill bit. The drill is positioned so that the edge of the hole is tangent to the center of the disc (Fig. 1) . The disc is removed from the mount and cleaned with acetone to remove any traces of wax. To remove the cold-worked layer from the surface of the hole, the disc is placed in a standard sample holder for a Tenupol electropolisher so that the hole is in the center of the area to be polished.

The Effects of Ion Implantation on the Surface Features of Inconel 600

1985 ◽  
Vol 43 ◽  
pp. 288-289
Author(s):  
John D. Rubio
Keyword(s):  
Grain Boundary ◽  
Ion Implantation ◽  
Nuclear Power ◽  
Power Plants ◽  
Surface Region ◽  
Selective Dissolution ◽  
Boundary Region ◽  
Near Surface ◽  
Inconel 600 ◽  
Steam Generator Tubing

The degradation of steam generator tubing at nuclear power plants has become an important problem for the electric utilities generating nuclear power. The material used for the tubing, Inconel 600, has been found to be succeptible to intergranular attack (IGA). IGA is the selective dissolution of material along its grain boundaries. The author believes that the sensitivity of Inconel 600 to IGA can be minimized by homogenizing the near-surface region using ion implantation. The collisions between the implanted ions and the atoms in the grain boundary region would displace the atoms and thus effectively smear the grain boundary.To determine the validity of this hypothesis, an Inconel 600 sample was implanted with 100kV N2+ ions to a dose of 1x1016 ions/cm2 and electrolytically etched in a 5% Nital solution at 5V for 20 seconds. The etched sample was then examined using a JEOL JSM25S scanning electron microscope.

Microstructural changes of Aluminum Nitride after laser irradiation and electroless copper deposition

1994 ◽  
Vol 52 ◽  
pp. 636-637
Author(s):  
S. Cao ◽  
A. J. Pedraza ◽  
L. F. Allard
Keyword(s):  
Aluminum Nitride ◽  
Laser Irradiation ◽  
Electroless Deposition ◽  
Thermal Evaporation ◽  
Surface Region ◽  
Near Surface ◽  
Laser Patterning ◽  
Electroless Copper ◽  
Excimer Laser Irradiation ◽  
Laser Effect

Excimer-laser irradiation strongly modifies the near-surface region of aluminum nitride (AIN) substrates. The surface acquires a distinctive metallic appearance and the electrical resistivity of the near-surface region drastically decreases after laser irradiation. These results indicate that Al forms at the surface as a result of the decomposition of the Al (which has been confirmed by XPS). A computer model that incorporates two opposing phenomena, decomposition of the AIN that leaves a metallic Al film on the surface, and thermal evaporation of the Al, demonstrated that saturation of film thickness and, hence, of electrical resistance is reached when the rate of Al evaporation equals the rate of AIN decomposition. In an electroless copper bath, Cu is only deposited in laser-irradiated areas. This laser effect has been designated laser activation for electroless deposition. Laser activation eliminates the need of seeding for nucleating the initial layer of electroless Cu. Thus, AIN metallization can be achieved by laser patterning followed by electroless deposition.

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