UScholar Works
 
Filters: Department: "Materials Science & Engineering" Collection: "ir_uspace"
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CreatorTitleDescriptionSubjectDate
1 Liu, FengMetal-to-semiconductor transition in squashed armchair carbon nanotubesWe investigate electronic transport properties of the squashed armchair carbon nanotubes, using tight-binding molecular dynamics and the Green's function method. We demonstrate a metal-to-semiconductor transition while squashing the nanotubes and a general mechanism for such a transition. It is the ...Squashed armchair; Carbon nanotubes; Metal-to-semiconductor transition; Electronic transport; Tight-binding molecular dynamics; Squashed nanotubes2003-04
2 Liu, FengFirst-principles study of strain stabilization of Ge(105) facet on Si(001)Using the first-principles total energy method, we calculate surface energies, surface stresses, and their strain dependence of the Ge-covered Si (001) and (105) surfaces. The surface energy of the Si(105) surface is shown to be higher than that of Si(001), but it can be reduced by the Ge deposition...First-principles calculation; Strain stabilization; Ge(105); Si(001); Strained thin films; Epitaxial growth2005-09
3 Scarpulla, MichaelDetection of ZnS phases in CZTS thin-films by EXAFSCopper zinc tin sulfide (CZTS) is a promising Earthabundant thin-film solar cell material; it has an appropriate band gap of ~1.45 eV and a high absorption coefficient. The most efficient CZTS cells tend to be slightly Zn-rich and Cu-poor. However, growing Zn-rich CZTS films can sometimes result in ...2011-01-01
4 Stringfellow, Gerald B.Organometallic vapor phase epitaxial growth of AlGaInPAlx Ga,, In, _ x _ y P with x + y = 0.51, lattice matched to the GaAs substrate, has been grown by organometaUic vapor phase epitaxy. The simple, horizontal, IR heated system operates at atmospheric pressure using the reactants TMA1, TMGa, TMln, PH3, and K2. Alloys giving room temperature, band edge...Liquid phase epitaxial growth; LPE; Alloys; Surface morphology1985
5 Chaudhuri, Reaz A.Transverse shear stress distribution through thickness near an internal part-through elliptical hole in a stretched plateA semi-analytical post-processing method, termed the equilibrium/compatibility method here, is used for computation of hitherto unavailable through-thickness variation of transverse shear stresses in the vicinity of the circumferential re-entrant corner line of an internal part-through elliptical ...2010-03
6 Stringfellow, Gerald B.; Shurtleff, James KevinBi surfactant effects on ordering in GaInP grown by organometallic vapor-phase epitaxyThe effect of the isoelectronic surfactant Bi on surface structure and ordering has been studied for GaInP semiconductor alloys grown by organometallic vapor-phase epitaxy. A small amount of Bi trimethylbismuth added during growth is found to result in disordering for layers grown using conditions t...Surfactant; Semiconductors; Trimethylbismuth2000
7 Liu, FengRole of vacancy on trapping interstitial O in heavily As-doped SiWe have investigated the interstitial oxygen (Oi) diffusion in heavily arsenic (As)-doped Si using first-principles calculations. We show that it is not the As per se but the Si vacancy (V) that trap Oi to reduce its diffusion. Arsenic actually plays the role of an arbitrator to activate thermal ge...Vacancy; Interstitial oxygen; As-doped Si; Arsenic doped silicon; Oxygen trapping; Oxygen diffusion2008
8 Liu, FengCoulomb sink: a novel Coulomb effect on coarsening of metal nanoclusters on semiconductor surfacesWe propose the concept of a ‘‘Coulomb sink'' to elucidate the effect of Coulomb charging on coarsening of metal mesas grown on semiconductor surfaces.We show that a charged mesa, due to its reduced chemical potential, acts as a Coulomb sink and grows at the expense of neighboring neutral mesas. ...Coulomb sink; Coulomb effect; Metal nanoclusters; Semiconductor surface; Pb mesas2004-09
9 Liu, FengTopological and electronic transitions in a Sb(111) nanofilm: the interplay between quantum confinement and surface effectWhen the dimension of a solid structure is reduced, there will be two emerging effects, quantum confinement and surface effect, which dominate at nanoscale. Based on first-principles calculations, we demonstrate that due to an intriguing interplay between these two dominating effects, the topologica...2012-01-01
10 Stringfellow, Gerald B.Electrical properties of nitrogen doped GaPThe electrical properties namely, electron concentration and mobility, have been investigated in the temperature range from 53 to 400 K for undoped and nitrogen-doped VPE GaP.Electron concentration; Ionization energy; Electron mobility1975
11 Liu, FengNature of reactive O2 and slow CO2 evolution kinetics in CO oxidation by TiO2 supported Au clusterRecent experiments on CO oxidation reaction using seven-atom Au clusters deposited on TiO2 surface correlate CO2 formation with oxygen associated with Au clusters. We perform first principles calculations using a seven-atom Au cluster supported on a reduced TiO2 surface to explore potential candidat...Au clusters; TiO2; Kinetic evolution2006
12 Stringfellow, Gerald B.Step structure and ordering in GaInPPresents information from an experiment on the step structure and ordering in GalnP. Information on the step spacing and degree of order in the epitaxial layers; Details on the experiment; Results from the experiment.Physics; Ordering; Steps1998
13 Stringfellow, Gerald B.Step structure and ordering in Te-doped GaInPThe step structure and CuPt ordering in GaInP layers grown by organometallic vapor phase epitaxy on singular GaAs substrates have been investigated as a function of Te (DETe) doping using atomic force microscopy, and electrical and optical properties measurements. The degree of order decreases for T...Surfaces; Te doping; Bandgap energy1998
14 Stringfellow, Gerald B.Effects of substrate misorientation and growth rate on ordering in GaInPEpitaxial layers of Ga,Tn,_,P with 1=0.52 have been grown by-organometallic vapor-phase apitaxy on GaAs substrates misoriented from the (001) plane in the [ 1 IO] direction by angles 6,) of O", 3", 6", and 9". For each substrate orientation growth rates rg of 1, 2, and 4 pm/h have been used. The ...Transmission electron diffraction; Dark-field imaging; Photoluminescence1994
15 Stringfellow, Gerald B.Step structure and ordering in Zn-doped GaInPPresents the results of a study of Zinc dopant effects on both step structure and ordering in GaInP in an effort to further clarify the disordering mechanism. Comparison of the results obtained for Zinc with those reported for tellurium; Experiment; Results; Discussion; Conclusion.Gallium Compounds; Zinc; Ordering1999
16 Stringfellow, Gerald B.Use of Nitrogen to disorder GaInPSignificant changes in microstructure, surface structure, and alloy composition have been observed in GaInP with the addition of nitrogen. These effects occur due to surface changes induced by small concentrations of nitrogen. Transmission electron microscopy and photoluminescence experiments indica...Nitrogen; Alloys; Transmission2004
17 Stringfellow, Gerald B.Spectroscopic study of surfactant enhanced organometallic vapor phase epitaxy growth of GaInPSamplen s of GaxIn1-xP grown by organometallic vapor phase epitaxy on (001) GaAs substrates by addition of TESb demonstrating a lateral superlattice compositional modulation (CM) have been studied by low temperature polarized photoluminescence (PL), power dependent PL, and photoluminescence excitati...Organometallic vapor; Photoluminescence excitation; Spectroscopy2001
18 Chaudhuri, Reaz A.Interlaminar shear stresses around an internal part-through hole in a stretched laminated composite plateThe equilibrium/compatibility method, which is a semi-analytical post-processing method, is employed for computation of hitherto unavailable through-thickness variation of interlaminar (transverse) shear stresses in the vicinity of the bi-layer interface circumferential re-entrant corner line of an...2010-03
19 Tiwari, AshutoshManifestation of two-channel nonlocal spin transport in the shapes of Hanle curvesThe dynamics of charge-density fluctuations in a system of two tunnel-coupled wires contains two diffusion modes with dispersion iω = Dq2 and iω = Dq2 + 2τt, where D is the diffusion coefficient and τt is the tunneling time between the wires. The dispersion of corresponding spin-density modes de...2014-01-01
20 Smith, Grant D.; Borodin, OlegMolecular-dynamics simulation study of dielectric relaxation in a 1,4-polybutadiene meltWe have carried out atomistic molecular dynamics simulations of a melt of 1,4-poly(butadiene) from temperatures well above the experimentally observed merging of the primary a process and secondary b process down to temperatures approaching the experimentally observed bifurcation temperature. The re...Polymer melts; 1,4-polybutadiene; Chain dynamics; Conformational dynamics2002
21 Chaudhuri, Reaz A.Three-dimensional singular stress field at the front of a crack and lattice crack deviation (LCD) in a cubic single crystal plateA novel eigenfunction expansion technique, based in part on separation of the thickness variable, is developed to derive three-dimensional asymptotic stress fields in the vicinity of the front of a semi-infinite through-crack weakening an infinite plate made of a homogeneous cubic single crystal. C...2010-05-12
22 Ostafin, AgnesCombined deletion of mouse dematin-headpiece and ß-adducin exerts a novel effect on the spectrin-actin junctions leading to erythrocyte fragility and hemolytic AnemiaDematin and adducin are actin-binding proteins of the erythrocyte "junctional complex." Individually, they exert modest effects on erythrocyte shape and membrane stability, and their homologues are expressed widely in non-erythroid cells. Here we report generation and characterization of double knoc...2007
23 Liu, FengA three-layer-mesh bridging domain for coupled atomistic-continuum simulations at finite temperature: formulation and testingAlthough concurrent multiscale methods have been well developed for zero-temperature simulations, improvements are needed to meet challenges pertaining to finite-temperature simulations. Bridging domain method (BDM) is one of the most efficient and widely-used multiscale atomistic-continuum techniqu...2014-01-01
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