Schottky barrier heights of tantalum oxide, barium strontium titanate, lead titanate, and strontium bismuth tantalate

The Schottky barrier heights of various metals on the high permitivity oxides tantalum pentoxide, barium strontium titanate, lead zirconate titanate, and strontium bismuth tantalate have been calculated as a function of the metal work function. It is found that these oxides have a dimensionless Schottky barrier pinning factor S of 0.28-0.4 and not close to 1 because S is controlled by Ti-O-type bonds not Sr-O-type bonds, as assumed in earlier work. The band offsets on silicon are asymmetric with a much smaller offset at the conduction band, so that Ta2O5 and barium strontium titanate are relatively poor barriers to electrons on Si. © 1999 American Institute of Physics.

Schottky barrier heights of tantalum oxide, barium strontium titanate, lead zirconate titanate and strontium bismuth tantalate

Schottky barrier heights of various metals on tantalum pentoxide, barium strontium titanate, lead zirconate-titanate and strontium bismuth tantalate have been calculated as a function of metal work function. These oxides have a dimensionless Schottky barrier pinning factor, S, of 0.28 - 0.4 and not close to 1, because S is controlled by the Ti-O type bonds not Sr-O type bonds, as assumed previously. Band offsets on silicon are asymmetric with much smaller offset at the conduction band, so that Ta2O5 and barium strontium titanate (BST) are relatively poor barriers to electrons on Si.

Tetrahedral amorphous carbon-silicon heterojunction band energy offsets

Non-hydrogenated tetrahedral amorphous carbon (ta-C) has shown superior field emission characteristics. The understanding of the emission mechanism has been hindered by the lack of any directly measured data on the band offsets between ta-C and Si. In this paper results from direct in situ X-ray photoemission spectroscopy (XPS) measurements of the band-offset between ta-C and Si are reported. The measurements were carried out using a filtered cathodic vacuum arc (FCVA) deposition system attached directly to an ultra-high vacuum (UHV) XPS chamber via a load lock chamber. Repeated XPS measurements were carried out after monolayer depositions on in situ cleaned Si substrates. The total film thickness for each set of measurements was approximately 5 nm. Analysis of the data from undoped ta-C on n and p Si show the unexpected result that the conduction band barrier between Si and ta-C remains around 1.0 eV, but that the valence band barrier changes from 0.7 to 0.0 eV. The band line up derived from these barriers suggests that the Fermi level in the ta-C lies 0.3 eV above the valence band on both p and n+Si. The heterojunction barriers when ta-C is doped with nitrogen are also presented. The implications of the heterojunction energy barrier heights for field emission from ta-C are discussed.

Calculation of point defects in rutile TiO 2 by the screened-exchange hybrid functional

The formation energies of the oxygen vacancy and titanium interstitial in rutile TiO 2 were calculated by the screened-exchange (sX) hybrid density functional method, which gives a band gap of 3.1 eV, close to the experimental value. The oxygen vacancy gives rise to a gap state lying 0.7 eV below the conduction band edge, whose charge density is localized around the two of three Ti atoms next to the vacancy. The Ti interstitial (Ti int) generates four defect states in the gap, whose unpaired electrons lie on the interstitial and the adjacent Ti 3d orbitals. The formation energy for the neutral oxygen vacancy is 1.9 eV for the O-poor chemical potential. The neutral Ti interstitial has a lower formation energy than the O vacancy under O-poor conditions. This indicates that both the O vacancy and Ti int are relevant for oxygen deficiency in rutile TiO 2 but the O vacancy will dominate under O-rich conditions. This resolves questions about defect localization and defect predominance in the literature. © 2012 American Physical Society.

Light induced instability mechanism in amorphous InGaZn oxide semiconductors

A model of the negative bias illumination stress instability in InGaZn oxide is presented, based on the photo-excitation of electrons from oxygen interstitials. The O interstitials are present to compensate hydrogen donors. The O interstitials are found to spontaneously form in O-rich conditions for Fermi energies at the conduction band edge, much more easily that in related oxides. The excited electrons give rise to a persistent photoconductivity due to an energy barrier to recombination. The formation energy of the O interstitials varies with their separation from the H donors, which leads to a voltage stress dependence on the compensation. © 2014 AIP Publishing LLC.

Electronic structure and surface properties of SrBi2Ta2O9 and related oxides

The electronic structure of SrBi2Ta2O9 and related oxides such as SrBi2Nb2O9, Bi2WO6 and Bi3Ti4O12 have been calculated by the tight-binding method. In each case, the band gap is about 4.1 eV and the band edge states occur on the Bi-O layers and consist of mixed O p/Bi s states at the top of the valence band and Bi p states at the bottom of the conduction band. The main difference between the compounds is that Nb 5d and Ti 4d states in the Nb and Ti compounds lie lower than the Ta 6d states in the conduction band. The surface pinning levels are found to pin Schottky barriers 0.8 eV below the conduction band edge.

Electronic structure of the layered ferroelectric perovskite SrBi2Ta2O9

The band structure of the Bi layered perovskite SrBi2Ta2O9 (SBT) has been calculated by the tight binding method. We find both the valence and conduction band edges to consist of states primarily derived from the Bi-O layer rather than the perovskite Sr-Ta-O block. The valence band maximum arises from O p and some Bi s states, while the conduction band minimum consists of Bi p states, with a band gap of 5.1 eV. It is argued that the Bi-O layers largely control the electronic response of SBT while the ferroelectric response originates from the perovskite Sr-Ta-O block. Bi and Ta centered traps are calculated to be shallow, which may account in part for the excellent fatigue properties of SBT.

Electronic structure of the ferroelectric layered perovskite SrBi2Ta2O9

The band structure of the layered perovskite SrBi2Ta2O9 (SBT) was calculated by tight binding and the valence band density of states was measured by x-ray photoemission spectroscopy. We find both the valence and conduction band edges to consist of states primarily derived from the Bi-O layer rather than the perovskite Sr-Ta-O blocks. The valence band maximum arises from O p and some Bi s states, while the conduction band minimum consists of Bi p states, with a wide band gap of 5.1 eV. It is argued that the Bi-O layers largely control the electronic response whereas the ferroelectric response originates mainly from the perovskite Sr-Ta-O block. Bi and Ta centered traps are calculated to be shallow, which may account in part for its excellent fatigue properties. © 1996 American Institute of Physics.

Localized tail state distribution in amorphous oxide transistors deduced from low temperature measurements

In this paper, we extract density of localized tail states from measurements of low temperature conductance in amorphous oxide transistors. At low temperatures, trap-limited conduction prevails, allowing extraction of the trapped carrier distribution with energy. Using a test device with a-InGaZnO channel layer, the extracted tail state energy and density at the conduction band minima are 20 meV and 2 × 10 19 cm -3 eV -1, respectively, which are consistent with values reported in the literature. Also, the field-effect mobility as a function of temperature from 77 K to 300 K is retrieved for different gate voltages, yielding the activation energy and the percolation threshold. © 2012 American Institute of Physics.

A hybrid density functional view of native vacancies in gallium nitride.

We investigated the transition energy levels of the vacancy defects in gallium nitride by means of a hybrid density functional theory approach (DFT). We show that, in contrast to predictions from a recent study on the level of purely local DFT, the inclusion of screened exchange stabilizes the triply positive charge state of the nitrogen vacancy for Fermi energies close to the valence band. On the other hand, the defect levels associated with the negative charge states of the nitrogen vacancy hybridize with the conduction band and turn out to be energetically unfavorable, except for high n-doping. For the gallium vacancy, the increased magnetic splitting between up-spin and down-spin bands due to stronger exchange interactions in sX-LDA pushes the defect levels deeper into the band gap and significantly increases the associated charge transition levels. Based on these results, we propose the ϵ(0| - 1) transition level as an alternative candidate for the yellow luminescence in GaN.

Impact of donor traps on the 2DEG and electrical behavior of AlGaN/GaN MISFETs

As an important step in understanding trap-related mechanisms in AlGaN/GaN transistors, the physical properties of surface states have been analyzed through the study of the transfer characteristics of a MISFET. This letter focused initially on the relationship between donor parameters (concentration and energy level) and electron density in the channel in AlGaN/GaN heterostructures. This analysis was then correlated to dc and pulsed measurements of the transfer characteristics of a MISFET, where the gate bias was found to modulate either the channel density or the donor states. Traps-free and traps-frozen TCAD simulations were performed on an equivalent device to capture the donor behavior. A donor concentration of 1.14× 1013 ∼ cm-2 with an energy level located 0.2 eV below the conduction band edge gave the best fit to measurements. With the approach described here, we were able to analyze the region of the MISFET that corresponds to the drift region of a conventional HEMT. © 1980-2012 IEEE.

A thermalization energy analysis of the threshold voltage shift in amorphous indium gallium zinc oxide thin film transistors under simultaneous negative gate bias and illumination

It has been previously observed that thin film transistors (TFTs) utilizing an amorphous indium gallium zinc oxide (a-IGZO) semiconducting channel suffer from a threshold voltage shift when subjected to a negative gate bias and light illumination simultaneously. In this work, a thermalization energy analysis has been applied to previously published data on negative bias under illumination stress (NBIS) in a-IGZO TFTs. A barrier to defect conversion of 0.65-0.75 eV is extracted, which is consistent with reported energies of oxygen vacancy migration. The attempt-to-escape frequency is extracted to be 10 6-107 s-1, which suggests a weak localization of carriers in band tail states over a 20-40 nm distance. Models for the NBIS mechanism based on charge trapping are reviewed and a defect pool model is proposed in which two distinct distributions of defect states exist in the a-IGZO band gap: these are associated with states that are formed as neutrally charged and 2+ charged oxygen vacancies at the time of film formation. In this model, threshold voltage shift is not due to a defect creation process, but to a change in the energy distribution of states in the band gap upon defect migration as this allows a state formed as a neutrally charged vacancy to be converted into one formed as a 2+ charged vacancy and vice versa. Carrier localization close to the defect migration site is necessary for the conversion process to take place, and such defect migration sites are associated with conduction and valence band tail states. Under negative gate bias stressing, the conduction band tail is depleted of carriers, but the bias is insufficient to accumulate holes in the valence band tail states, and so no threshold voltage shift results. It is only under illumination that the quasi Fermi level for holes is sufficiently lowered to allow occupation of valence band tail states. The resulting charge localization then allows a negative threshold voltage shift, but only under conditions of simultaneous negative gate bias and illumination, as observed experimentally as the NBIS effect. © 2014 AIP Publishing LLC.