Monte Carlo studies of quantum and classical annealing on a double well

We present results for a variety of Monte Carlo annealing approaches, both classical and quantum, benchmarked against one another for the textbook optimization exercise of a simple one-dimensional double well. In classical (thermal) annealing, the dependence upon the move chosen in a Metropolis scheme is studied and correlated with the spectrum of the associated Markov transition matrix. In quantum annealing, the path integral Monte Carlo approach is found to yield nontrivial sampling difficulties associated with the tunneling between the two wells. The choice of fictitious quantum kinetic energy is also addressed. We find that a "relativistic" kinetic energy form, leading to a higher probability of long real-space jumps, can be considerably more effective than the standard nonrelativistic one.

Projected length annealing of etched Sm-152 ion tracks in apatite

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Deposition of Al2O3 by resistive evaporation and thermal oxidation of Al to be applied as a transparent FET insulating layer

Alumina thin films have been obtained by resistive evaporation of Al layer, followed by thermal oxidation by means of annealing in appropriate atmosphere (air or O2-rich), with variation of annealing time and temperature. Optical and structural properties of the investigated films reveal that the temperature of 550 °C is responsible for reasonable oxidation, which is accelerated up to 8 times for O2-rich atmosphere. Results of surface electrical resistivity and Raman spectroscopy are in good agreement with these findings. Surprisingly, X-ray and Raman data suggest also the crystallization of Si nuclei at glass substrate-alumina interface, which would come from the soda-lime glass used as substrate. © 2013 Elsevier Ltd and Techna Group S.r.l.

Laser irradiation and thermal treatment inducing selective crystallization in Sb2O3-Sb2S3 glassy films

The influence of both thermal treatment and laser irradiation on the structural and optical properties of films in the Sb 2 O 3 –Sb 2 S 3 system was investigated. The films were prepared by RF-sputtering using glass compositions as raw materials. Irreversible photodarkening effect was observed after exposure the films to a 458nm solid state laser. It is shown, for the first time, the use of holographic technique to measure “in situ”, simultaneously and independently, the phase and amplitude modulations in glassy films. The films were also photo-crystallized and analysed “in situ” using a laser coupled to a micro-Raman equipment. Results showed that Sb 2 S 3 crystalline phase was obtained after irradiation. The effect of thermal annealing on the structure of the films was carried out. Different from the result obtained by irradiation, thermal annealing induces the crystallization of the Sb 2 O 3 phase. Photo and thermal induced effects on films were studied using UV–Vis and Raman spectroscopy, atomic force microscopy (AFM), thermal analysis (DSC), X-ray diffraction, scanning electron microscopy (MEV) and energy-dispersive X-ray spectroscopy (EDX).

Cr+3 distribution in Al1 and Al2 Sites of alexandrite (BeAl2O4: Cr3+) induced by annealing, investigated by optical spectroscopy

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Fabrication and characterization at high temperature of AlGaN/GaN enhancement HEMTs

Enhancement-mode (E-mode) high electron mobility transistors (HEMTs) based on a standard AlGaN/GaN heterostructure have been fabricated using two different methods: 19F implantation and fluorine-based plasma treatment. The need of a thermal annealing after both treatments has been proven in order to restore the ID and gm levels. DC characterization at high temperature has demonstrated that ID and gm decrease reversibly due to the reduction of the electron mobility and the drift velocity. Pulsed measurements (state period and variable pulse width) have been performed to study the self-heating effects.

Technology and characterization of GaN-HEMTs devices: high temperature and trapping effects

Los transistores de alta movilidad electrónica basados en GaN han sido objeto de una extensa investigación ya que tanto el GaN como sus aleaciones presentan unas excelentes propiedades eléctricas (alta movilidad, elevada concentración de portadores y campo eléctrico crítico alto). Aunque recientemente se han incluido en algunas aplicaciones comerciales, su expansión en el mercado está condicionada a la mejora de varios asuntos relacionados con su rendimiento y habilidad. Durante esta tesis se han abordado algunos de estos aspectos relevantes; por ejemplo, la fabricación de enhancement mode HEMTs, su funcionamiento a alta temperatura, el auto calentamiento y el atrapamiento de carga. Los HEMTs normalmente apagado o enhancement mode han atraído la atención de la comunidad científica dedicada al desarrollo de circuitos amplificadores y conmutadores de potencia, ya que su utilización disminuiría significativamente el consumo de potencia; además de requerir solamente una tensión de alimentación negativa, y reducir la complejidad del circuito y su coste. Durante esta tesis se han evaluado varias técnicas utilizadas para la fabricación de estos dispositivos: el ataque húmedo para conseguir el gate-recess en heterostructuras de InAl(Ga)N/GaN; y tratamientos basados en flúor (plasma CF4 e implantación de F) de la zona debajo de la puerta. Se han llevado a cabo ataques húmedos en heteroestructuras de InAl(Ga)N crecidas sobre sustratos de Si, SiC y zafiro. El ataque completo de la barrera se consiguió únicamente en las muestras con sustrato de Si. Por lo tanto, se puede deducir que la velocidad de ataque depende de la densidad de dislocaciones presentes en la estructura, ya que el Si presenta un peor ajuste del parámetro de red con el GaN. En relación a los tratamientos basados en flúor, se ha comprobado que es necesario realizar un recocido térmico después de la fabricación de la puerta para recuperar la heteroestructura de los daños causados durante dichos tratamientos. Además, el estudio de la evolución de la tensión umbral con el tiempo de recocido ha demostrado que en los HEMTs tratados con plasma ésta tiende a valores más negativos al aumentar el tiempo de recocido. Por el contrario, la tensión umbral de los HEMTs implantados se desplaza hacia valores más positivos, lo cual se atribuye a la introducción de iones de flúor a niveles más profundos de la heterostructura. Los transistores fabricados con plasma presentaron mejor funcionamiento en DC a temperatura ambiente que los implantados. Su estudio a alta temperatura ha revelado una reducción del funcionamiento de todos los dispositivos con la temperatura. Los valores iniciales de corriente de drenador y de transconductancia medidos a temperatura ambiente se recuperaron después del ciclo térmico, por lo que se deduce que dichos efectos térmicos son reversibles. Se han estudiado varios aspectos relacionados con el funcionamiento de los HEMTs a diferentes temperaturas. En primer lugar, se han evaluado las prestaciones de dispositivos de AlGaN/GaN sobre sustrato de Si con diferentes caps: GaN, in situ SiN e in situ SiN/GaN, desde 25 K hasta 550 K. Los transistores con in situ SiN presentaron los valores más altos de corriente drenador, transconductancia, y los valores más bajos de resistencia-ON, así como las mejores características en corte. Además, se ha confirmado que dichos dispositivos presentan gran robustez frente al estrés térmico. En segundo lugar, se ha estudiado el funcionamiento de transistores de InAlN/GaN con diferentes diseños y geometrías. Dichos dispositivos presentaron una reducción casi lineal de los parámetros en DC en el rango de temperaturas de 25°C hasta 225°C. Esto se debe principalmente a la dependencia térmica de la movilidad electrónica, y también a la reducción de la drift velocity con la temperatura. Además, los transistores con mayores longitudes de puerta mostraron una mayor reducción de su funcionamiento, lo cual se atribuye a que la drift velocity disminuye más considerablemente con la temperatura cuando el campo eléctrico es pequeño. De manera similar, al aumentar la distancia entre la puerta y el drenador, el funcionamiento del HEMT presentó una mayor reducción con la temperatura. Por lo tanto, se puede deducir que la degradación del funcionamiento de los HEMTs causada por el aumento de la temperatura depende tanto de la longitud de la puerta como de la distancia entre la puerta y el drenador. Por otra parte, la alta densidad de potencia generada en la región activa de estos transistores conlleva el auto calentamiento de los mismos por efecto Joule, lo cual puede degradar su funcionamiento y Habilidad. Durante esta tesis se ha desarrollado un simple método para la determinación de la temperatura del canal basado en medidas eléctricas. La aplicación de dicha técnica junto con la realización de simulaciones electrotérmicas han posibilitado el estudio de varios aspectos relacionados con el autocalentamiento. Por ejemplo, se han evaluado sus efectos en dispositivos sobre Si, SiC, y zafiro. Los transistores sobre SiC han mostrado menores efectos gracias a la mayor conductividad térmica del SiC, lo cual confirma el papel clave que desempeña el sustrato en el autocalentamiento. Se ha observado que la geometría del dispositivo tiene cierta influencia en dichos efectos, destacando que la distribución del calor generado en la zona del canal depende de la distancia entre la puerta y el drenador. Además, se ha demostrado que la temperatura ambiente tiene un considerable impacto en el autocalentamiento, lo que se atribuye principalmente a la dependencia térmica de la conductividad térmica de las capas y sustrato que forman la heterostructura. Por último, se han realizado numerosas medidas en pulsado para estudiar el atrapamiento de carga en HEMTs sobre sustratos de SiC con barreras de AlGaN y de InAlN. Los resultados obtenidos en los transistores con barrera de AlGaN han presentado una disminución de la corriente de drenador y de la transconductancia sin mostrar un cambio en la tensión umbral. Por lo tanto, se puede deducir que la posible localización de las trampas es la región de acceso entre la puerta y el drenador. Por el contrario, la reducción de la corriente de drenador observada en los dispositivos con barrera de InAlN llevaba asociado un cambio significativo en la tensión umbral, lo que implica la existencia de trampas situadas en la zona debajo de la puerta. Además, el significativo aumento del valor de la resistencia-ON y la degradación de la transconductancia revelan la presencia de trampas en la zona de acceso entre la puerta y el drenador. La evaluación de los efectos del atrapamiento de carga en dispositivos con diferentes geometrías ha demostrado que dichos efectos son menos notables en aquellos transistores con mayor longitud de puerta o mayor distancia entre puerta y drenador. Esta dependencia con la geometría se puede explicar considerando que la longitud y densidad de trampas de la puerta virtual son independientes de las dimensiones del dispositivo. Finalmente se puede deducir que para conseguir el diseño óptimo durante la fase de diseño no sólo hay que tener en cuenta la aplicación final sino también la influencia que tiene la geometría en los diferentes aspectos estudiados (funcionamiento a alta temperatura, autocalentamiento, y atrapamiento de carga). ABSTRACT GaN-based high electron mobility transistors have been under extensive research due to the excellent electrical properties of GaN and its related alloys (high carrier concentration, high mobility, and high critical electric field). Although these devices have been recently included in commercial applications, some performance and reliability issues need to be addressed for their expansion in the market. Some of these relevant aspects have been studied during this thesis; for instance, the fabrication of enhancement mode HEMTs, the device performance at high temperature, the self-heating and the charge trapping. Enhancement mode HEMTs have become more attractive mainly because their use leads to a significant reduction of the power consumption during the stand-by state. Moreover, they enable the fabrication of simpler power amplifier circuits and high-power switches because they allow the elimination of negativepolarity voltage supply, reducing significantly the circuit complexity and system cost. In this thesis, different techniques for the fabrication of these devices have been assessed: wet-etching for achieving the gate-recess in InAl(Ga)N/GaN devices and two different fluorine-based treatments (CF4 plasma and F implantation). Regarding the wet-etching, experiments have been carried out in InAl(Ga)N/GaN grown on different substrates: Si, sapphire, and SiC. The total recess of the barrier was achieved after 3 min of etching in devices grown on Si substrate. This suggests that the etch rate can critically depend on the dislocations present in the structure, since the Si exhibits the highest mismatch to GaN. Concerning the fluorine-based treatments, a post-gate thermal annealing was required to recover the damages caused to the structure during the fluorine-treatments. The study of the threshold voltage as a function of this annealing time has revealed that in the case of the plasma-treated devices it become more negative with the time increase. On the contrary, the threshold voltage of implanted HEMTs showed a positive shift when the annealing time was increased, which is attributed to the deep F implantation profile. Plasma-treated HEMTs have exhibited better DC performance at room temperature than the implanted devices. Their study at high temperature has revealed that their performance decreases with temperature. The initial performance measured at room temperature was recovered after the thermal cycle regardless of the fluorine treatment; therefore, the thermal effects were reversible. Thermal issues related to the device performance at different temperature have been addressed. Firstly, AlGaN/GaN HEMTs grown on Si substrate with different cap layers: GaN, in situ SiN, or in situ SiN/GaN, have been assessed from 25 K to 550 K. In situ SiN cap layer has been demonstrated to improve the device performance since HEMTs with this cap layer have exhibited the highest drain current and transconductance values, the lowest on-resistance, as well as the best off-state characteristics. Moreover, the evaluation of thermal stress impact on the device performance has confirmed the robustness of devices with in situ cap. Secondly, the high temperature performance of InAlN/GaN HEMTs with different layouts and geometries have been assessed. The devices under study have exhibited an almost linear reduction of the main DC parameters operating in a temperature range from room temperature to 225°C. This was mainly due to the thermal dependence of the electron mobility, and secondly to the drift velocity decrease with temperature. Moreover, HEMTs with large gate length values have exhibited a great reduction of the device performance. This was attributed to the greater decrease of the drift velocity for low electric fields. Similarly, the increase of the gate-to-drain distance led to a greater reduction of drain current and transconductance values. Therefore, this thermal performance degradation has been found to be dependent on both the gate length and the gate-to-drain distance. It was observed that the very high power density in the active region of these transistors leads to Joule self-heating, resulting in an increase of the device temperature, which can degrade the device performance and reliability. A simple electrical method have been developed during this work to determine the channel temperature. Furthermore, the application of this technique together with the performance of electro-thermal simulations have enabled the evaluation of different aspects related to the self-heating. For instance, the influence of the substrate have been confirmed by the study of devices grown on Si, SiC, and Sapphire. HEMTs grown on SiC substrate have been confirmed to exhibit the lowest self-heating effects thanks to its highest thermal conductivity. In addition to this, the distribution of the generated heat in the channel has been demonstrated to be dependent on the gate-to-drain distance. Besides the substrate and the geometry of the device, the ambient temperature has also been found to be relevant for the self-heating effects, mainly due to the temperature-dependent thermal conductivity of the layers and the substrate. Trapping effects have been evaluated by means of pulsed measurements in AlGaN and InAIN barrier devices. AlGaN barrier HEMTs have exhibited a de crease in drain current and transconductance without measurable threshold voltage change, suggesting the location of the traps in the gate-to-drain access region. On the contrary, InAIN barrier devices have showed a drain current associated with a positive shift of threshold voltage, which indicated that the traps were possibly located under the gate region. Moreover, a significant increase of the ON-resistance as well as a transconductance reduction were observed, revealing the presence of traps on the gate-drain access region. On the other hand, the assessment of devices with different geometries have demonstrated that the trapping effects are more noticeable in devices with either short gate length or the gate-to-drain distance. This can be attributed to the fact that the length and the trap density of the virtual gate are independent on the device geometry. Finally, it can be deduced that besides the final application requirements, the influence of the device geometry on the performance at high temperature, on the self-heating, as well as on the trapping effects need to be taken into account during the device design stage to achieve the optimal layout.

Quantitation of Pseudomonas aeruginosa in wound biopsy samples: from bacterial culture to rapid `real-time' polymerase chain reaction

We developed a real-time detection (RTD) polymerase chain reaction (PCR) with rapid thermal cycling to detect and quantify Pseudomonas aeruginosa in wound biopsy samples. This method produced a linear quantitative detection range of 7 logs, with a lower detection limit of 103 colony-forming units (CFU)/g tissue or a few copies per reaction. The time from sample collection to result was less than 1h. RTD-PCR has potential for rapid quantitative detection of pathogens in critical care patients, enabling early and individualized treatment.

Thermal stability of ion-implanted ZnO

Zinc oxide single crystals implanted at room temperature with high-dose (1.4x10(17) cm(-2)) 300 keV As+ ions are annealed at 1000-1200 degrees C. Damage recovery is studied by a combination of Rutherford backscattering/channeling spectrometry (RBS/C), cross-sectional transmission electron microscopy (XTEM), and atomic force microscopy. Results show that such a thermal treatment leads to the decomposition and evaporation of the heavily damaged layer instead of apparent defect recovery and recrystallization that could be inferred from RBS/C and XTEM data alone. This study shows that heavily damaged ZnO has relatively poor thermal stability compared to as-grown ZnO which is a significant result and has implications for understanding results on thermal annealing of ion-implanted ZnO. (c) 2005 Americian Institute of Physics.

Electrochemically exfoliated graphene for electrode films : effect of graphene flake thickness on the sheet resistance and capacitive properties

We present an electrochemical exfoliation method to produce controlled thickness graphene flakes by ultrasound assistance. Bilayer graphene flakes are dominant in the final product by using sonication during the electrochemical exfoliation process, while without sonication the product contains a larger percentage of four-layer graphene flakes. Graphene sheets prepared by using the two procedures are processed into films to measure their respective sheet resistance and optical transmittance. Solid-state electrolyte supercapacitors are made using the two types of graphene films. Our study reveals that films with a higher content of multilayer graphene flakes are more conductive, and their resistance is more easily reduced by thermal annealing, making them suitable as transparent conducting films. The film with higher content of bilayer graphene flakes shows instead higher capacitance when used as electrode in a supercapacitor.

Synthesis, thin-film morphology, and comparative study of bulk and bilayer heterojunction organic photovoltaic devices using soluble diketopyrrolopyrrole molecules

Diketopyrrolopyrrole (DPP)-based organic semiconductors EH-DPP-TFP and EH-DPP-TFPV with branched ethyl-hexyl solubilizing alkyl chains and end capped with trifluoromethyl phenyl groups were designed and synthesized via Suzuki coupling. These compounds show intense absorptions up to 700 nm, and thin film-forming characteristics that sensitively depend on the solvent and coating conditions. Both materials have been used as electron donors in bulk heterojunction and bilayer organic photovoltaic (OPV) devices with fullerenes as acceptors and their performance has been studied in detail. The best power conversion efficiency of 3.3% under AM1.5G illumination (100 mW cm -2) was achieved for bilayer solar cells when EH-DPP-TFPV was used with C 60, after a thermal annealing step to induce dye aggregation and interdiffusion of C 60 with the donor material. To date, this is one of the highest efficiencies reported for simple bilayer OPV devices.

Furan substituted diketopyrrolopyrrole and thienylenevinylene based low band gap copolymer for high mobility organic thin film transistors

A novel solution processable donor-acceptor (D-A) based low band gap polymer semiconductor poly{3,6-difuran-2-yl-2,5-di(2-octyldodecyl)-pyrrolo[3,4- c]pyrrole-1,4-dione-alt-thienylenevinylene} (PDPPF-TVT), was designed and synthesized by a Pd-catalyzed Stille coupling route. An electron deficient furan based diketopyrrolopyrrole (DPP) block and electron rich thienylenevinylene (TVT) donor moiety were attached alternately in the polymer backbone. The polymer exhibited good solubility, film forming ability and thermal stability. The polymer exhibits wide absorption bands from 400 nm to 950 nm (UV-vis-NIR region) with absorption maximum centered at 782 nm in thin film. The optical band gap (Eoptg) calculated from the polymer film absorption onset is around 1.37 eV. The π-energy band level (ionization potential) calculated by photoelectron spectroscopy in air (PESA) for PDPPF-TVT is around 5.22 eV. AFM and TEM analyses of the polymer reveal nodular terrace morphology with optimized crystallinity after 200 °C thermal annealing. This polymer exhibits p-channel charge transport characteristics when used as the active semiconductor in organic thin-film transistor (OTFT) devices. The highest hole mobility of 0.13 cm 2 V -1 s -1 is achieved in bottom gate and top-contact OTFT devices with on/off ratios in the range of 10 6-10 7. This work reveals that the replacement of thiophene by furan in DPP copolymers exhibits such a high mobility, which makes DPP furan a promising block for making a wide range of promising polymer semiconductors for broad applications in organic electronics.

Effects of HNO3 molecular doping in graphene/Si Schottky barrier solar cells

Schottky barrier solar cells based on graphene/n-silicon heterojunction have been fabricated and characterized and the effect of graphene molecular doping by HNO3 on the solar cells performances have been analyzed. Different doping conditions and thermal annealing processes have been tested to asses and optimize the stability of the devices. The PCE of the cells increases after the treatment by HNO3 and reaches 5% in devices treated at 200 °C immediately before the exposition to the oxidant. Up to now our devices retain about 80% of efficiency over a period of two weeks, which represents a good stability result for similar devices.

Pre-lithiation of onion-like carbon/MoS2 nano-urchin anodes for high-performance rechargeable lithium ion batteries

Hybrid urchin-like nanostructures composed of a spherical onion-like carbon (OLC) core and MoS2 nanoleaves were synthesized by a simple solvothermal method followed by thermal annealing treatment. Compared to commercial MoS2 powder, MoS2/OLC nanocomposites exhibit enhanced electrochemical performance as anode materials of lithium-ion batteries (LIBs) with a specific capacity of 853 mA h g−1 at a current density of 50 mA g−1 after 60 cycles, and a moderate initial coulombic efficiency of 71.1%. Furthermore, a simple pre-lithiation method based on direct contact of lithium foil with MoS2/OLC nano-urchins was used to achieve a very high coulombic efficiency of 97.6% in the first discharge/charge cycle, which is at least 26% higher compared to that of pristine MoS2/OLC nano-urchins. This pre-lithiation method can be generalized to develop other carbon-metal sulfide nanohybrids for LIB anode materials. These results may open up a new avenue for the development of the next-generation high-performance LIBs.

Characterization of strain in Si1-xGex films using multiple angle of incidence ellipsometry

In this letter we characterize strain in Si1-xGex based heterojunction bipolar transistors and modulation doped field effect transistors grown by rapid thermal chemical vapor deposition exploiting the phenomenon of strain-induced birefringence. The technique used is multiple angle of incidence ellipsometry at a wavelength of 670 nm to measure the ordinary and extraordinary refractive indices of the Si1-xGex films. We report measurements on thin fully strained films (with thicknesses less than the critical thickness) with Ge concentration varying from 9% to 40% with an accuracy of the order of 1 part in 10(4) and propose an empirical relation between the difference in the ordinary and extraordinary refractive indices (deltan) and the Ge concentration (x) given by deltan(x)=0.18x-0.12x(2). (C) 2000 American Institute of Physics. [S0003-6951(00)03948-6].