scholarly journals Modulation of the Bi 3+ 6s 2 Lone Pair State in Perovskites for High‐Mobility p‐Type Oxide Semiconductors

2022 ◽  
pp. 2104141
Author(s):  
Jueli Shi ◽  
Ethan A. Rubinstein ◽  
Weiwei Li ◽  
Jiaye Zhang ◽  
Ye Yang ◽  
...  
Keyword(s):  
Lone Pair ◽  
High Mobility ◽  
Oxide Semiconductors ◽  
P Type ◽  
Pair State

scholarly journals Doping limits in p-type oxide semiconductors

MRS Bulletin ◽  
2021 ◽  
Author(s):  
John Robertson ◽  
Zhaofu Zhang
Keyword(s):  
Thin Film Transistors ◽  
Semiconductor Industry ◽  
Lone Pair ◽  
Energy Scale ◽  
Oxide Semiconductors ◽  
Vacuum Level ◽  
Conduction Bands ◽  
Defect Energies ◽  
Type Character ◽  
P Type

AbstractThe ability to dope a semiconductor depends on whether the Fermi level can be moved into its valence or conduction bands, on an energy scale referred to the vacuum level. For oxides, there are various suitable n-type oxide semiconductors, but there is a marked absence of similarly suitable p-type oxides. This problem is of interest not only for thin-film transistors for displays, or solar cell electrodes, but also for back-end-of-line devices for the semiconductor industry. This has led to a wide-ranging search for p-type oxides using high-throughput calculations. We note that some proposed p-type metal oxides have cation s-like lone pair states. The defect energies of some of these oxides were calculated in detail. The example SnTa2O6 is of interest, but others have structures more closely based on perovskite structure and are found to have more n-type than p-type character. Graphic abstract

scholarly journals Descriptors for Electron and Hole Charge Carriers in Metal Oxides

2019 ◽  
Author(s):  
Daniel Davies ◽  
Christopher Savory ◽  
Jarvist Moore Frost ◽  
David Scanlon ◽  
Benjamin Morgan ◽  
...  
Keyword(s):  
Metal Oxide ◽  
Metal Oxides ◽  
Small Polaron ◽  
High Mobility ◽  
Charge Carriers ◽  
Oxide Semiconductors ◽  
Hole Charge ◽  
Electron Phonon Coupling ◽  
Carrier Effective Mass ◽  
P Type

<div> <div> <div> <p>Metal oxides can act as insulators, semiconductors or metals depending on their chemical composition and crystal structure. Metal oxide semiconductors, which support equilibrium populations of electron and hole charge carriers, have widespread applications including batteries, solar cells, and display technologies. It is often difficult to predict in advance whether these materials will exhibit localized or delocalized charge carriers upon oxidation or reduction. We combine data from first-principles calculations of the electronic structure and dielectric response of 214 metal oxides to predict the energetic driving force for carrier localization and transport. We assess descriptors based on the carrier effective mass, static polaron binding energy, and Frohlich electron–phonon coupling. Numerical analysis allows us to assign p and n type transport of a metal oxide to three classes: (i) band transport with high mobility; (ii) small polaron transport with low mobility; and (iii) intermediate behaviour. The results of this classification agree with observations regarding carrier dynamics and lifetimes and are used to predict 10 candidate p-type oxides. </p> </div> </div> </div>

scholarly journals Descriptors for Electron and Hole Charge Carriers in Metal Oxides

2019 ◽  
Author(s):  
Daniel Davies ◽  
Christopher Savory ◽  
Jarvist Moore Frost ◽  
David Scanlon ◽  
Benjamin Morgan ◽  
...  
Keyword(s):  
Metal Oxide ◽  
Metal Oxides ◽  
Small Polaron ◽  
High Mobility ◽  
Charge Carriers ◽  
Oxide Semiconductors ◽  
Hole Charge ◽  
Electron Phonon Coupling ◽  
Carrier Effective Mass ◽  
P Type

<div> <div> <div> <p>Metal oxides can act as insulators, semiconductors or metals depending on their chemical composition and crystal structure. Metal oxide semiconductors, which support equilibrium populations of electron and hole charge carriers, have widespread applications including batteries, solar cells, and display technologies. It is often difficult to predict in advance whether these materials will exhibit localized or delocalized charge carriers upon oxidation or reduction. We combine data from first-principles calculations of the electronic structure and dielectric response of 214 metal oxides to predict the energetic driving force for carrier localization and transport. We assess descriptors based on the carrier effective mass, static polaron binding energy, and Frohlich electron–phonon coupling. Numerical analysis allows us to assign p and n type transport of a metal oxide to three classes: (i) band transport with high mobility; (ii) small polaron transport with low mobility; and (iii) intermediate behaviour. The results of this classification agree with observations regarding carrier dynamics and lifetimes and are used to predict 10 candidate p-type oxides. </p> </div> </div> </div>

p-Type conductivity of GeTe: The role of lone-pair electrons

2012 ◽  
Vol 249 (10) ◽  
pp. 1902-1906 ◽  
Author(s):  
Alexander V. Kolobov ◽  
Paul Fons ◽  
Junji Tominaga
Keyword(s):  
Lone Pair ◽  
Type Conductivity ◽  
P Type ◽  
Lone Pair Electrons

Anomalously persistent p-type behavior of WSe2 field-effect transistors by oxidized edge-induced Fermi-level pinning

2022 ◽  
Author(s):  
Tien Dat Ngo ◽  
Min Sup Choi ◽  
Myeongjin Lee ◽  
Fida Ali ◽  
Won Jong Yoo
Keyword(s):  
Fermi Level ◽  
Field Effect ◽  
Field Effect Transistors ◽  
High Mobility ◽  
Two Dimensional ◽  
Edge Contact ◽  
Fermi Level Pinning ◽  
P Type

A technique to form the edge contact in two-dimensional (2D) based field-effect transistors (FETs) has been intensively studied for the purpose of achieving high mobility and also recently overcoming the...

scholarly journals Sonochemical Reaction of Bifunctional Molecules on Silicon (111) Hydride Surface

Molecules ◽  
2021 ◽  
Vol 26 (20) ◽  
pp. 6166
Author(s):  
Serge Ismael Zida ◽  
Yue-Der Lin ◽  
Yit Lung Khung
Keyword(s):  
Photoelectron Spectroscopy ◽  
Lone Pair ◽  
Thermal Reaction ◽  
Silicon Hydride ◽  
Force Microscopy ◽  
Bifunctional Molecules ◽  
Bond Breakage ◽  
Sonochemical Reaction ◽  
Grafting From ◽  
P Type

While the sonochemical grafting of molecules on silicon hydride surface to form stable Si–C bond via hydrosilylation has been previously described, the susceptibility towards nucleophilic functional groups during the sonochemical reaction process remains unclear. In this work, a competitive study between a well-established thermal reaction and sonochemical reaction of nucleophilic molecules (cyclopropylamine and 3-Butyn-1-ol) was performed on p-type silicon hydride (111) surfaces. The nature of surface grafting from these reactions was examined through contact angle measurements, X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM). Cyclopropylamine, being a sensitive radical clock, did not experience any ring-opening events. This suggested that either the Si–H may not have undergone homolysis as reported previously under sonochemical reaction or that the interaction to the surface hydride via a lone-pair electron coordination bond was reversible during the process. On the other hand, silicon back-bond breakage and subsequent surface roughening were observed for 3-Butyn-1-ol at high-temperature grafting (≈150 °C). Interestingly, the sonochemical reaction did not produce appreciable topographical changes to surfaces at the nano scale and the further XPS analysis may suggest Si–C formation. This indicated that while a sonochemical reaction may be indifferent towards nucleophilic groups, the surface was more reactive towards unsaturated carbons. To the best of the author’s knowledge, this is the first attempt at elucidating the underlying reactivity mechanisms of nucleophilic groups and unsaturated carbon bonds during sonochemical reaction of silicon hydride surfaces.

Water Vapour Effects on the Oxidation of Chromia-Forming Alloys

2011 ◽  
Vol 696 ◽  
pp. 200-205 ◽  
Author(s):  
Alain Galerie ◽  
Jean Pierre Petit ◽  
Yves Wouters ◽  
Julie Mougin ◽  
Anusara Srisrual ◽  
...  
Keyword(s):  
Water Vapour ◽  
Stainless Steels ◽  
High Mobility ◽  
Major Change ◽  
Growth Direction ◽  
Band Gap Energy ◽  
Type Semiconductor ◽  
Temperature Relaxation ◽  
P Type ◽  
Chromia Scales

The electronic properties of chromia scales grown between 800°C and 900°C on chromium metal and chromia-forming ferritic stainless steels were determined using room temperature PhotoElectroChemistry (PEC) experiments and the relative importance of the n- and p-character of the scales could be assessed. According to the thermodynamic previsions of defects structures, the external part of all the scales grown in oxygen exhibits band gap energy around 3.5 eV, with a marked p-type character on chromium and a possibly n-type behaviour on stainless steels. On the contrary, the internal part of the scales is always n-type, with predominant interstitial chromium defects. A major change appears when chromium or stainless steels are oxidised in water vapour-argon mixtures, where the absence of a p‑type semiconductor in the scales could be evidenced. Hydrogen defects are thought to be responsible of this particular behaviour which leads to a strong reduction of residual stresses due to increased high temperature relaxation. Moreover, the inversion of the growth direction resulting from high mobility of the OH defects makes the chromia scales grown in water vapour more adherent than when grown in oxygen.

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