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2011

Purdue University

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Articles 31 - 60 of 74

Full-Text Articles in Nanoscience and Nanotechnology

Direct Simulation Monte Carlo Study Of Effects Of Thermal Nonuniformities In Electron-Beam Physical Vapor Deposition, A. Venkattraman, Alina A. Alexeenko Jul 2011

Direct Simulation Monte Carlo Study Of Effects Of Thermal Nonuniformities In Electron-Beam Physical Vapor Deposition, A. Venkattraman, Alina A. Alexeenko

Birck and NCN Publications

In a typical electron-beam physical vapor deposition system, there is limited control over how the high-power electron beam heats the metal surface. This leads to thermal nonuniformities at the melt. Three-dimensional direct simulation Monte Carlo simulations were performed with the aim of quantifying the effect of such spatial variations of source temperature in thin film depositions using an electron-beam physical vapor deposition system. The source temperature distribution from a typical deposition process was used in the direct simulation Monte Carlo simulations performed for various mass flow rates. The use of an area-averaged temperature is insufficient for all mass flow rates …

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Schottky-Barrier Height Modulation Of Metal/In0.53ga0.47as Interfaces By Insertion Of Atomic-Layer Deposited Ultrathin Al2o3, Runsheng Wang, Min Xu, Peide D. Ye, Ru Huang Jul 2011

Schottky-Barrier Height Modulation Of Metal/In0.53ga0.47as Interfaces By Insertion Of Atomic-Layer Deposited Ultrathin Al2o3, Runsheng Wang, Min Xu, Peide D. Ye, Ru Huang

Birck and NCN Publications

The improvement of the metal/InGaAs interface is essential for the future application of InGaAs metal source/drain Schottky-barrier metal-oxide-semiconductor field-effect-transistors. In this article, on In0.53Ga0.47As, the authors examine the recently proposed method of inserting an ultrathin insulator to modulate the effective Schottky-barrier height (SBH) at the metal/semiconductor interface. Both n-type and p-type In0.53Ga0.47As are investigated by inserting an atomic-layer deposited Al2O3 interlayer. The results indicate that SBH modulation is more effective at the n-InGaAs interface than the p-InGaAs interface for the same Al2O3 thickness. However, the Fermi level at the metal/InGaAs interface is still weakly pinned even after inserting 2 nm …

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Numerical Modeling Of Plasmonic Nanoantennas With Realistic 3d Roughness And Distortion, Alexander V. Kildishev, Joshua D. Borneman, Kuo-Ping Chen, Vladimir P. Drachev Jul 2011

Numerical Modeling Of Plasmonic Nanoantennas With Realistic 3d Roughness And Distortion, Alexander V. Kildishev, Joshua D. Borneman, Kuo-Ping Chen, Vladimir P. Drachev

Birck and NCN Publications

Nanostructured plasmonic metamaterials, including optical nanoantenna arrays, are important for advanced optical sensing and imaging applications including surface-enhanced fluorescence, chemiluminescence, and Raman scattering. Although designs typically use ideally smooth geometries, realistic nanoantennas have nonzero roughness, which typically results in a modified enhancement factor that should be involved in their design. Herein we aim to treat roughness by introducing a realistic roughened geometry into the finite element (FE) model. Even if the roughness does not result in significant loss, it does result in a spectral shift and inhomogeneous broadening of the resonance, which could be critical when fitting the FE simulations …

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Scattering Mechanisms In A High-Mobility Low-Density Carbon-Doped (100) Gaas Two-Dimensional Hole System, J. D. Watson, S. Mondal, G. A. Csathy, M. J. Manfra, E. H. Hwang, S. Das Sarma, L. N. Pfeiffer, K. W. West Jun 2011

Scattering Mechanisms In A High-Mobility Low-Density Carbon-Doped (100) Gaas Two-Dimensional Hole System, J. D. Watson, S. Mondal, G. A. Csathy, M. J. Manfra, E. H. Hwang, S. Das Sarma, L. N. Pfeiffer, K. W. West

Birck and NCN Publications

We report on a systematic study of the density dependence of mobility in a low-density carbon-doped (100) GaAs two-dimensional hole system (2DHS). At T = 50 mK, a mobility of 2.6 x 10(6) cm(2)/Vs at a density p = 6.2 x 10(10)cm(-2) was measured. This is the highest mobility reported for a 2DHS to date. Using a backgated sample geometry, the density dependence of mobility was studied from 2.8 x 10(10) cm(-2) to 1 x 10(11) cm(-2). The mobility vs density cannot be fit to a power law dependence of the form alpha similar to p(alpha) using a single exponent …

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Supersymmetry Identifies Molecular Stark States Whose Eigenproperties Can Be Obtained Analytically, Mikhail Lemeshko, Mustafa Mustafa, Sabre Kais, Bretislav Friedrich Jun 2011

Supersymmetry Identifies Molecular Stark States Whose Eigenproperties Can Be Obtained Analytically, Mikhail Lemeshko, Mustafa Mustafa, Sabre Kais, Bretislav Friedrich

Birck and NCN Publications

We made use of supersymmetric (SUSY) quantum mechanics to find the condition under which the Stark effect problem for a polar and polarizable closed-shell diatomic molecule subjected to collinear electrostatic and nonresonant radiative fields becomes exactly solvable. The condition Delta omega = omega(2)/4(m+1)(2) connects values of the dimensionless parameters omega and Delta omega that characterize the strengths of the permanent and induced dipole interactions of the molecule with the respective fields. The exact solutions are obtained for the vertical bar(J) over tilde = m, m; omega, Delta omega > family of 'stretched' states. The field-free and strong-field limits of the combined-fields …

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Room Temperature Device Performance Of Electrodeposited Insb Nanowire Field Effect Transistors, Suprem Das, Collin J. Delker, Dmitri Zakharov, Yong P. Chen, Timothy D. Sands, David B. Janes Jun 2011

Room Temperature Device Performance Of Electrodeposited Insb Nanowire Field Effect Transistors, Suprem Das, Collin J. Delker, Dmitri Zakharov, Yong P. Chen, Timothy D. Sands, David B. Janes

Birck and NCN Publications

InSb nanowires have been formed by electrodeposition in porous anodic alumina templates and employed as transistor channels. The 100 nm diameter nanowires had a zinc blende crystal structure. Single-nanowire field-effect transistors (NW-FETs) with a channel length of 500 nm exhibited on-currents of similar to 40 mu A, on/off ratios of similar to 16-20, drain conductances of similar to 71 mu S and field-effect electron mobility of similar to 1200 cm(2) V(-1) s(-1). Compared with reported NW-FETs, the on-current is large and the current saturation occurs at low source-drain voltages. These characteristics can be understood in terms of velocity saturation effects …

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Dynamics Of Entanglement In A Two-Dimensional Spin System, Qing Xu, Gehad Sadiek, Sabre Kais Jun 2011

Dynamics Of Entanglement In A Two-Dimensional Spin System, Qing Xu, Gehad Sadiek, Sabre Kais

Birck and NCN Publications

We consider the time evolution of entanglement in a finite two-dimensional transverse Ising model. The model consists of a set of seven localized spin-1/2 particles in a two-dimensional triangular lattice coupled through nearest-neighbor exchange interaction in the presence of an external time-dependent magnetic field. The magnetic field is applied in different function forms: step, exponential, hyperbolic, and periodic. We found that the time evolution of the entanglement shows an ergodic behavior under the effect of the time-dependent magnetic fields. Also, we found that while the step magnetic field causes great disturbance to the system, creating rapid oscillations, the system shows …

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Comparison Of Photothermal And Piezoacoustic Excitation Methods For Frequency And Phase Modulation Atomic Force Microscopy In Liquid Environments, A. Labuda, K. Kobayashi, Daniel Kiracofe, K. Suzuki, P. H. Gruetter, H. Yamada Jun 2011

Comparison Of Photothermal And Piezoacoustic Excitation Methods For Frequency And Phase Modulation Atomic Force Microscopy In Liquid Environments, A. Labuda, K. Kobayashi, Daniel Kiracofe, K. Suzuki, P. H. Gruetter, H. Yamada

Birck and NCN Publications

In attempting to perform frequency modulation atomic force microscopy (FM-AFM) in liquids, a non-flat phase transfer function in the self-excitation system prevents proper tracking of the cantilever natural frequency. This results in frequency-and-phase modulation atomic force microscopy (FPM-AFM) which lies in between phase modulation atomic force microscopy (PM-AFM) and FM-AFM. We derive the theory necessary to recover the conservative force and damping in such a situation, where standard FM-AFM theory no longer applies. Although our recovery procedure applies to all cantilever excitation methods in principle, its practical implementation may be difficult, or even impossible, if the cantilever is driven piezoacoustically. …

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Formation Of Silicon Nanodots Via Ion Beam Sputtering Of Ultrathin Gold Thin Film Coatings On Si, Osman El-Atwani, Sami Ortoleva, Alex Cimaroli, Jean Paul Allain May 2011

Formation Of Silicon Nanodots Via Ion Beam Sputtering Of Ultrathin Gold Thin Film Coatings On Si, Osman El-Atwani, Sami Ortoleva, Alex Cimaroli, Jean Paul Allain

Birck and NCN Publications

Ion beam sputtering of ultrathin film Au coatings used as a physical catalyst for self-organization of Si nanostructures has been achieved by tuning the incident particle energy. This approach holds promise as a scalable nanomanufacturing parallel processing alternative to candidate nanolithography techniques. Structures of 11- to 14-nm Si nanodots are formed with normal incidence low-energy Ar ions of 200 eV and fluences above 2 x 10(17) cm(-2). In situ surface characterization during ion irradiation elucidates early stage ion mixing migration mechanism for nanodot self-organization. In particular, the evolution from gold film islands to the formation of ion-induced metastable gold silicide …

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Improving Near-Field Confinement Of A Bowtie Aperture Using Surface Plasmon Polaritons, Pornsak Srisungsitthisunti, Okan Ersoy, Xianfan Xu May 2011

Improving Near-Field Confinement Of A Bowtie Aperture Using Surface Plasmon Polaritons, Pornsak Srisungsitthisunti, Okan Ersoy, Xianfan Xu

Birck and NCN Publications

Bowtie aperture is known to produce subdiffraction-limited optical spot with high intensity. In this work, we investigate integrating a bowtie aperture with circular grooves to reduce the divergence of the near-field produced by the bowtie aperture. Numerical results indicate that surface waves reflected from circular grooves improve the field confinement of a bowtie aperture along the polarization axis. These circular grooves with period near half the wavelength of surface plasmon polaritons reduce the spot size by as much as 40% at distances between 20 and 100 nm from the surface and create a more symmetrical optical spot. (C) 2011 American …

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Chaos-Assisted Emission From Asymmetric Resonant Cavity Microlasers, Susumu Shinohara, Takahisa Harayama, Takehiro Fukushima, Martina Hentschel, Satoshi Sunada, Evgenii Narimanov May 2011

Chaos-Assisted Emission From Asymmetric Resonant Cavity Microlasers, Susumu Shinohara, Takahisa Harayama, Takehiro Fukushima, Martina Hentschel, Satoshi Sunada, Evgenii Narimanov

Birck and NCN Publications

We study emission from quasi-one-dimensional modes of an asymmetric resonant cavity that are associated with a stable periodic ray orbit confined inside the cavity by total internal reflection. It is numerically demonstrated that such modes exhibit directional emission, which is explained by chaos-assisted emission induced by dynamical tunneling. Fabricating semiconductor microlasers with an asymmetric resonant cavity, we experimentally demonstrate the selective excitation of the quasi-one-dimensional modes by employing the device structure to preferentially inject currents to these modes and observe directional emission in good accordance with the theoretical prediction based on chaos-assisted emission.

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Engineered Valley-Orbit Splittings In Quantum-Confined Nanostructures In Silicon, Rajib Rahman, J. Verdujin, Neerav Kharche, Gabriel Lansbergen, Purdue University Gerhard Klimeck, Lloyd Hollenberg, Sven Rogge May 2011

Engineered Valley-Orbit Splittings In Quantum-Confined Nanostructures In Silicon, Rajib Rahman, J. Verdujin, Neerav Kharche, Gabriel Lansbergen, Purdue University Gerhard Klimeck, Lloyd Hollenberg, Sven Rogge

Birck and NCN Publications

An important challenge in silicon quantum electronics in the few electron regime is the poten- tially small energy gap between the ground and excited orbital states in 3D quantum confined nanostructures due to the multiple valley degeneracies of the conduction band present in silicon. Understanding the “valley-orbit” (VO) gap is essential for silicon qubits, as a large VO gap prevents leakage of the qubit states into a higher dimensional Hilbert space. The VO gap varies considerably depending on quantum confinement, and can be engineered by external electric fields. In this work we investigate VO splitting experimentally and theoretically in a …

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Fabrication And Realistic Modeling Of Three-Dimensional Metal-Dielectric Composites, Mark D. Thoreson, Jieran R. Fang, Alexander V. Kildishev, Ludmila J. Prokopeva, Piotr Nyga, Uday K. Chettiar, Vladimir M. Shalaev, Vladimir P. Drachev May 2011

Fabrication And Realistic Modeling Of Three-Dimensional Metal-Dielectric Composites, Mark D. Thoreson, Jieran R. Fang, Alexander V. Kildishev, Ludmila J. Prokopeva, Piotr Nyga, Uday K. Chettiar, Vladimir M. Shalaev, Vladimir P. Drachev

Birck and NCN Publications

Historically, the methods used to describe the electromagnetic response of random, three-dimensional (3D), metal-dielectric composites (MDCs) have been limited to approximations such as effective-medium theories that employ easily-obtained, macroscopic parameters. Full-wave numerical simulations such as finite-difference time domain (FDTD) calculations are difficult for random MDCs due to the fact that the nanoscale geometry of a random composite is generally difficult to ascertain after fabrication. We have developed a fabrication method for creating semicontinuous metal films with arbitrary thicknesses and a modeling technique for such films using realistic geometries. We extended our two-dimensional simulation method to obtain realistic geometries of 3D …

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Particle-Hole Asymmetry Of Fractional Quantum Hall States In The Second Landau Level Of A Two-Dimensional Hole System, A. Kumar, N. Samkharadze, Gabor A. Csathy, Michael J. Manfra, L. N. Pfeiffer, K. W. West May 2011

Particle-Hole Asymmetry Of Fractional Quantum Hall States In The Second Landau Level Of A Two-Dimensional Hole System, A. Kumar, N. Samkharadze, Gabor A. Csathy, Michael J. Manfra, L. N. Pfeiffer, K. W. West

Birck and NCN Publications

We report the unambiguous observation of a fractional quantum Hall state in the Landau level of a two-dimensional-hole sample at the filling factor v = 8/3. We identified this state by a quantized Hall resistance and an activated temperature dependence of the longitudinal resistance and found an energy gap of 40 mK. Notably, the particle-hole conjugate state at filling factor v = 7/3 in our sample did not develop down to 6.9 mK. This observation is contrary to that in electron samples, in which the 7/3 state is typically more stable than the 8/3 state. We present evidence that the …

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Atomistic Approach To Alloy Scattering In Si(1-X)Ge(X), Saumitra R. Mehrotra, Abhijeet Paul, Gerhard Klimeck Apr 2011

Atomistic Approach To Alloy Scattering In Si(1-X)Ge(X), Saumitra R. Mehrotra, Abhijeet Paul, Gerhard Klimeck

Birck and NCN Publications

SiGe alloy scattering is of significant importance with the introduction of strained layers and SiGe channels into complementary metal-oxide semiconductor technology. However, alloy scattering has till now been treated in an empirical fashion with a fitting parameter. We present a theoretical model within the atomistic tight-binding representation for treating alloy scattering in SiGe. This approach puts the scattering model on a solid atomistic footing with physical insights. The approach is shown to inherently capture the bulk alloy scattering potential parameters for both n-type and p-type
carriers and matches experimental mobility data.

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First-Principles Analysis Of Zrn/Scn Metal/Semiconductor Superlattices For Thermoelectric Energy Conversion, Bivas Saha, Timothy D. Sands, Umesh V. Waghmare Apr 2011

First-Principles Analysis Of Zrn/Scn Metal/Semiconductor Superlattices For Thermoelectric Energy Conversion, Bivas Saha, Timothy D. Sands, Umesh V. Waghmare

Birck and NCN Publications

We present a first-principles density functional theory-based analysis of the electronic structure, vibrational spectra, and transport properties of ZrN/ScN metal/semiconductor superlattices aiming to understand its potential and suitability for thermoelectric applications. We demonstrate (a) the presence of Schottky barriers of 0.34 eV at the metal/semiconductor interface and (b) a large asymmetry in the electronic densities of states and flattening of electronic bands along the cross-plane directions near the Fermi energy of these superlattices, desirable for high Seebeck coefficient. The vibrational spectra of these superlattices show softening of transverse acoustic phonon modes along the growth direction and localization of ScN phonons …

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Decomposition Of Unitary Matrices For Finding Quantum Circuits: Application To Molecular Hamiltonians, Anmer Daskin, Sabre Kais Apr 2011

Decomposition Of Unitary Matrices For Finding Quantum Circuits: Application To Molecular Hamiltonians, Anmer Daskin, Sabre Kais

Birck and NCN Publications

Constructing appropriate unitary matrix operators for new quantum algorithms and finding the minimum cost gate sequences for the implementation of these unitary operators is of fundamental importance in the field of quantum information and quantum computation. Evolution of quantum circuits faces two major challenges: complex and huge search space and the high costs of simulating quantum circuits on classical computers. Here, we use the group leaders optimization algorithm to decompose a given unitary matrix into a proper-minimum cost quantum gate sequence. We test the method on the known decompositions of Toffoli gate, the amplification step of the Grover search algorithm, …

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Bifurcation-Based Mass Sensing Using Piezoelectrically-Actuated Microcantilevers, Vijay Kumar, J. William Boley, Yushi Yang, Hendrik Ekowaluyo, Jacob K. Miller, George T.C. Chiu, Jeff F. Rhoads Apr 2011

Bifurcation-Based Mass Sensing Using Piezoelectrically-Actuated Microcantilevers, Vijay Kumar, J. William Boley, Yushi Yang, Hendrik Ekowaluyo, Jacob K. Miller, George T.C. Chiu, Jeff F. Rhoads

Birck and NCN Publications

In conventional implementations, resonant chemical and biological sensors exploit chemomechanically-induced frequency shifts, which occur in linear systems, for analyte detection. In this letter, an alternative sensing approach, based upon dynamic transitions across saddle-node bifurcations is investigated. This technique not only has the potential to render improved sensor metrics but also to eliminate frequency tracking components from final device implementations. The present work details proof-of-concept experiments on bifurcation-based sensing, which were conducted using selectively functionalized, piezoelectrically-actuated microcantilevers. Preliminary results reveal the proposed sensing technique to be a viable alternative to existing resonant sensing methods. (C) 2011 American Institute of Physics. [doi:10.1063/1.3574920]

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Single Molecule In Vivo Analysis Of Toll-Like Receptor 9 And Cpg Dna Interaction, Jiji Chen, Suman Nag, Pierre-Alexandre Vidi, Joseph Irudayaraj Apr 2011

Single Molecule In Vivo Analysis Of Toll-Like Receptor 9 And Cpg Dna Interaction, Jiji Chen, Suman Nag, Pierre-Alexandre Vidi, Joseph Irudayaraj

Birck and NCN Publications

Toll-like receptor 9 (TLR9) activates the innate immune system in response to oligonucleotides rich in CpG whereas DNA lacking CpG could inhibit its activation. However, the mechanism of how TLR9 interacts with nucleic acid and becomes activated in live cells is not well understood. Here, we report on the successful implementation of single molecule tools, constituting fluorescence correlation/cross-correlation spectroscopy (FCS and FCCS) and photon count histogram (PCH) with fluorescence lifetime imaging (FLIM) to study the interaction of TLR9-GFP with Cy5 labeled oligonucleotide containing CpG or lacking CpG in live HEK 293 cells. Our findings show that i) TLR9 predominantly forms …

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An Atomistic Study Of Thermal Conductance Across A Metal-Graphene Nanoribbon Interface, Zhen Huang, Timothy S. Fisher, Jayathi Y. Murthy Apr 2011

An Atomistic Study Of Thermal Conductance Across A Metal-Graphene Nanoribbon Interface, Zhen Huang, Timothy S. Fisher, Jayathi Y. Murthy

Birck and NCN Publications

This paper presents an atomistic Green's function study of phonon transport through a heterogeneous interface between bulk TiC substrates and graphene nanoribbons (GNRs). The force constants that govern the lattice dynamical equations are obtained from first-principles density functional theory (DFT) calculations and then optimized for the Green's function formulation. Phonon vibrational properties of TiC and GNRs are investigated by lattice dynamics calculations with optimized force constants that correlate well to direct DFT results. Thermal conductances of TiC-GNR-TiC systems are studied together with TiC-GNR structures. The conductances of TiC-GNR interfaces are normalized by ribbon width and are found to converge. The …

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Calculation Of Single Chain Cellulose Elasticity Using Fully Atomistic Modeling, Xiawa Wu, Robert Moon, Ashlie Martini Apr 2011

Calculation Of Single Chain Cellulose Elasticity Using Fully Atomistic Modeling, Xiawa Wu, Robert Moon, Ashlie Martini

Birck and NCN Publications

Cellulose nanocrystals, a potential base material for green nanocomposites, are ordered bundles of cellulose chains. The properties of these chains have been studied for many years using atomic-scale modeling. However, model predictions are difficult to interpret because of the significant dependence of predicted properties on model details. The goal of this study is to begin to understand these dependencies. We focus on the investigation on model cellulose chains with different lengths and having both periodic and nonperiodic boundary conditions, and predict elasticity in the axial (chain) direction with three commonly used calculation methods. We find that chain length, boundary conditions, …

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Electronic Structure, Vibrational Spectrum, And Thermal Properties Of Yttrium Nitride: A First-Principles Study, Bivas Saha, Timothy D. Sands, Umesh V. Waghmare Apr 2011

Electronic Structure, Vibrational Spectrum, And Thermal Properties Of Yttrium Nitride: A First-Principles Study, Bivas Saha, Timothy D. Sands, Umesh V. Waghmare

Birck and NCN Publications

Yttrium nitride (YN) is a promising semiconductor for use in metal/semiconductor superlattices for thermoelectric applications. We determine its electronic structure, vibrational spectrum, and thermal properties using first-principles density functional theory (DFT) based simulations with a generalized gradient approximation (GGA) of the exchange correlation energy. We employ GGA+U and GW approximations in our calculations to (a) improve the accuracy of the calculation of bandgaps and (b) determine specific features of its electronic structure relevant to transport properties, such as transverse (m(t)*) and longitudinal (m(1)*) conduction band effective mass. To evaluate consequences of forming alloys of YN with other materials to its …

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Full Dispersion Versus Debye Model Evaluation Of Lattice Thermal Conductivity With A Landauer Approach, Changwook Jeong, Supriyo Datta, Mark S. Lundstrom Apr 2011

Full Dispersion Versus Debye Model Evaluation Of Lattice Thermal Conductivity With A Landauer Approach, Changwook Jeong, Supriyo Datta, Mark S. Lundstrom

Birck and NCN Publications

Using a full dispersion description of phonons, the thermal conductivities of bulk Si and Bi(2)Te(3) are evaluated using a Landauer approach and related to the conventional approach based on the Boltzmann transport equation. A procedure to extract a well-defined average phonon mean-free-path from the measured thermal conductivity and given phonon-dispersion is presented. The extracted mean-free-path has strong physical significance and differs greatly from simple estimates. The use of simplified dispersion models for phonons is discussed, and it is shown that two different Debye temperatures must be used to treat the specific heat and thermal conductivity (analogous to the two different …

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Distributed Negf Algorithms For The Simulation Of Nanoelectronic Devices With Scattering, Stephen Cauley, Mathieu Luisier, Venkataramanan Balakrishnan, Gerhard Klimeck, Cheng-Kok Koh Mar 2011

Distributed Negf Algorithms For The Simulation Of Nanoelectronic Devices With Scattering, Stephen Cauley, Mathieu Luisier, Venkataramanan Balakrishnan, Gerhard Klimeck, Cheng-Kok Koh

Birck and NCN Publications

Through the Non-Equilibrium Green’s Function (NEGF) formalism, quantum- scale device simulation can be performed with the inclusion of electron-phonon scattering. However, the simulation of realistically sized devices under the NEGF formalism typically requires prohibitive amounts of memory and computation time. Two of the most demanding computational problems for NEGF simulation involve mathematical operations with structured matrices called semiseparable matrices. In this work, we present parallel approaches for these computational problems which allow for efficient distribution of both memory and computation based upon the underlying device structure. This is critical when simulating realistically sized devices due to the aforementioned computational burdens. …

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Subband Engineering For P-Type Silicon Ultra-Thin Layers For Increased Carrier Velocities: An Atomistic Analysis, Neophytos Neophytou, Gerhard Klimeck Mar 2011

Subband Engineering For P-Type Silicon Ultra-Thin Layers For Increased Carrier Velocities: An Atomistic Analysis, Neophytos Neophytou, Gerhard Klimeck

Birck and NCN Publications

Ultra-thin-body (UTB) channel materials of a few nanometers in thickness are currently considered as candidates for future electronic, thermoelectric, and optoelectronic applications. Among the features that they possess, which make them attractive for such applications, their confinement length scale, transport direction, and confining surface orientation serve as degrees of freedom for engineering their electronic properties. This work presents a comprehensive study of hole velocities in p-type UTB films of widths from 15 nm down to 3 nm. Various transport and surface orientations are considered. The atomistic sp3d5s*-spin-orbit-coupled tight-binding model is used for the electronic structure, and a semiclassical ballistic model …

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Subband Engineering For P-Type Silicon Ultra-Thin Layers For Increased Carrier Velocities: An Atomistic Analysis, Neophytos Neophytou, Gerhard Klimeck, Hans Kosina Mar 2011

Subband Engineering For P-Type Silicon Ultra-Thin Layers For Increased Carrier Velocities: An Atomistic Analysis, Neophytos Neophytou, Gerhard Klimeck, Hans Kosina

Other Nanotechnology Publications

Ultra-thin-body (UTB) channel materials of a few nanometers in thickness are currently considered as candidates for future electronic, thermoelectric, and optoelectronic applications. Among the features that they possess, which make them attractive for such applications, their confinement length scale, transport direction, and confining surface orientation serve as degrees of freedom for engineering their electronic properties. This work presents a comprehensive study of hole velocities in p-type UTB films of widths from 15 nm down to 3 nm. Various transport and surface orientations are considered. The atomistic sp3d5s*-spin-orbit-coupled tight-binding model is used for the electronic structure, and a semiclassical ballistic model …

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Atomistic Study Of Electronic Structure Of Pbse Nanowires, Abhijeet Paul, Gerhard Klimeck Mar 2011

Atomistic Study Of Electronic Structure Of Pbse Nanowires, Abhijeet Paul, Gerhard Klimeck

Birck and NCN Publications

Lead Selenide (PbSe) is an attractive ‘IV-VI’ semiconductor material to design optical sensors, lasers and thermoelectric devices. Improved fabrication of PbSe nanowires (NWs) enables the utilization of low dimensional quantum effects. The effect of cross-section size (W) and channel orientation on the bandstructure of PbSe NWs is studied using an 18 band sp3d5 tight-binding theory. The bandgap increases almost with the inverse of the W for all the orientations indicating a weak symmetry dependence. [111] and [110] NWs show higher ballistic conductance for the conduction and valence band compared to [100] NWs due to the significant splitting of the projected …

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Atomistic Study Of Electronic Structure Of Pbse Nanowires, Abhijeet Paul, Gerhard Klimeck Mar 2011

Atomistic Study Of Electronic Structure Of Pbse Nanowires, Abhijeet Paul, Gerhard Klimeck

Birck and NCN Publications

Lead Selenide (PbSe) is an attractive ‘IV-VI’ semiconductor material to design optical sensors, lasers and thermoelectric devices. Improved fabrication of PbSe nanowires (NWs) enables the utilization of low dimensional quantum effects. The effect of cross-section size (W) and channel orientation on the bandstructure of PbSe NWs is studied using an 18 band sp3d5 tight-binding theory. The bandgap increases almost with the inverse of the W for all the orientations indicating a weak symmetry dependence. [111] and [110] NWs show higher ballistic conductance for the conduction and valence band compared to [100] NWs due to the significant splitting of the projected …

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Polarity Effects In The X-Ray Photoemission Of Zno And Other Wurtzite Semiconductors, M. W. Allen, Dmitry Zemlyanov, G.I.N. Waterhouse, J. B. Metson, T. D. Veal, C. F. Mcconville, S. M. Durbin Mar 2011

Polarity Effects In The X-Ray Photoemission Of Zno And Other Wurtzite Semiconductors, M. W. Allen, Dmitry Zemlyanov, G.I.N. Waterhouse, J. B. Metson, T. D. Veal, C. F. Mcconville, S. M. Durbin

Birck and NCN Publications

Significant polarity-related effects were observed in the near-surface atomic composition and valence band electronic structure of ZnO single crystals, investigated by x-ray photoemission spectroscopy using both Al K(alpha) (1486.6 eV) and synchrotron radiation (150 to 1486 eV). In particular, photoemission from the lowest binding energy valence band states was found to be significantly more intense on the Zn-polar face compared to the O-polar face. This is a consistent effect that can be used as a simple, nondestructive indicator of crystallographic polarity in ZnO and other wurtzite semiconductors. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3562308]

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Accurate Six-Band Nearest-Neighbor Tight-Binding Model For The Π-Bands Of Bulk Graphene And Graphene Nanoribbons, Timothy B. Boykin, Mathieu Luisier, Gerhard Klimeck, Xueping Jiang, Neerav Kharche, Yu Zhou, Saroj K. Nayak Mar 2011

Accurate Six-Band Nearest-Neighbor Tight-Binding Model For The Π-Bands Of Bulk Graphene And Graphene Nanoribbons, Timothy B. Boykin, Mathieu Luisier, Gerhard Klimeck, Xueping Jiang, Neerav Kharche, Yu Zhou, Saroj K. Nayak

Birck and NCN Publications

Accurate modeling of the ␣-bands of armchair graphene nanoribbons (AGNRs) requires correctly reproducing asymmetries in the bulk graphene bands as well as providing a realistic model for hydrogen passivation of the edge atoms. The commonly used single-pz orbital approach fails on both these counts. To overcome these failures we introduce a nearest-neighbor, three orbital per atom p/d tight-binding model for graphene. The parameters of the model are fit to first-principles density-functional theory (DFT) – based calculations as well as to those based on the many-body Green’s function and screened-exchange (GW) formalism, giving excellent agreement with the ab initio AGNR bands. …

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