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15 Apr 2012

Volume 111, Issue 8, Articles (08xxxx)

Issue Cover Spotlight Figure

J. Appl. Phys. 111, 084701 (2012); http://dx.doi.org/10.1063/1.3698319 (11 pages)

Xerxes Lopez-Yglesias, Jason M. Gamba, and Richard C. Flagan
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back to top Electronic Structure and Transport

Mechanism of contact resistance formation in ohmic contacts with high dislocation density

A. V. Sachenko, A. E. Belyaev, N. S. Boltovets, R. V. Konakova, Ya. Ya. Kudryk, S. V. Novitskii, V. N. Sheremet, J. Li, and S. A. Vitusevich

J. Appl. Phys. 111, 083701 (2012); http://dx.doi.org/10.1063/1.3702850 (9 pages) | Cited 1 time

Online Publication Date: 16 April 2012

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A new mechanism of contact resistance formation in ohmic contacts with high dislocation density is proposed. Its specific feature is the appearance of a characteristic region where the contact resistance increases with temperature. According to the mechanism revealed, the current flowing through the metal shunts associated with dislocations is determined by electron diffusion. It is shown that current flows through the semiconductor near-surface regions where electrons accumulate. A feature of the mechanism is the realization of ohmic contact irrespective of the relation between the contact and bulk resistances. The theory is proved for contacts formed to III-V semiconductor materials as well as silicon-based materials. A reasonable agreement between theory and experimental results is obtained.
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73.40.Cg Contact resistance, contact potential

The electronic properties of a core/shell/well/shell spherical quantum dot with and without a hydrogenic impurity

Hatice Taş and Mehmet Şahin

J. Appl. Phys. 111, 083702 (2012); http://dx.doi.org/10.1063/1.3702874 (8 pages) | Cited 2 times

Online Publication Date: 16 April 2012

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In this study, we have performed a detailed investigation of the electronic properties of a core/shell/well/shell multilayered spherical quantum dot, such as energy eigenvalues, wave functions, electron probability distribution, and binding energies. The energy eigenvalues and their wave functions of the considered structure have been calculated for cases with and without an on-center impurity. For this purpose, the Schrödinger equation has been numerically solved by using the shooting method in the effective mass approximation for a finite confining potential. The electronic properties have been examined for different core radii, barrier thicknesses, and well widths in a certain potential. The results have been analyzed in detail as a function of the layer thicknesses and their physical reasons have been interpreted. It has been found that the electronic properties are strongly dependent on the layer thicknesses.
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73.21.La Quantum dots
71.15.Nc Total energy and cohesive energy calculations
71.20.Nr Semiconductor compounds
71.18.+y Fermi surface: calculations and measurements; effective mass, g factor

Spin pumping and spin filtering in double quantum dots with time-dependent spin-orbit interactions

Hui Pan and Yinghui Zhao

J. Appl. Phys. 111, 083703 (2012); http://dx.doi.org/10.1063/1.3703567 (6 pages)

Online Publication Date: 16 April 2012

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We propose a scheme of realizing both spin pumping and spin filtering in a double quantum dot with homogeneous Zeeman splittings in the presence of oscillating spin-orbit interactions. We find that a spin-polarized pumping current can be achieved by tuning the relative energies of the Zeeman-split levels of the dots. It is also found that a pure spin current can be generated at zero detuning, whose magnitude can be modulated by the external fields. At a certain constellation of system parameters, the pumping current can become almost fully spin-polarized. Therefore, it is possible to select a particular spin component of the current to be pumped from the left to the right lead. We finally give some discussions on the realization of the spin pumping and spin filtering effects.
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71.70.Ej Spin-orbit coupling, Zeeman and Stark splitting, Jahn-Teller effect
72.25.-b Spin polarized transport

Real-space microscopic electrical imaging of n+-p junction beneath front-side Ag contact of multicrystalline Si solar cells

C.-S. Jiang, Z. G. Li, H. R. Moutinho, L. Liang, A. Ionkin, and M. M. Al-Jassim

J. Appl. Phys. 111, 083704 (2012); http://dx.doi.org/10.1063/1.4703923 (7 pages)

Online Publication Date: 16 April 2012

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We investigated the quality of the n+-p diffused junction beneath the front-side Ag contact of multicrystalline Si solar cells by characterizing the uniformities of electrostatic potential and doping concentration across the junction using the atomic force microscopy-based electrical imaging techniques of scanning Kelvin probe force microscopy and scanning capacitance microscopy. We found that Ag screen-printing metallization fired at the over-fire temperature significantly degrades the junction uniformity beneath the Ag contact grid, whereas metallization at the optimal- and under-fire temperatures does not cause degradation. Ag crystallites with widely distributed sizes were found at the Ag-grid/emitter-Si interface of the over-fired cell, which is associated with the junction damage beneath the Ag grid. Large crystallites protrude into Si deeper than the junction depth. However, the junction was not broken down; instead, it was reformed on the entire front of the crystallite/Si interface. We propose a mechanism of junction-quality degradation, based on emitter Si melting at the temperature around the Ag-Si eutectic point during firing, and subsequent re-crystallization with incorporation of Ag and other impurities and with formation of crystallographic defects during quenching. The effect of this junction damage on solar cell performance is discussed.
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88.40.J- Types of solar cells
88.40.H- Solar cells (photovoltaics)
61.72.U- Doping and impurity implantation
68.37.Ps Atomic force microscopy (AFM)
64.70.dj Melting of specific substances
81.40.Gh Other heat and thermomechanical treatments

Temperature dependence of the electron spin g factor in CdTe and InP

Pawel Pfeffer and Wlodek Zawadzki

J. Appl. Phys. 111, 083705 (2012); http://dx.doi.org/10.1063/1.3703584 (8 pages)

Online Publication Date: 17 April 2012

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Temperature dependence of the electron spin g factors in bulk CdTe and InP is calculated and compared with experiment. It is assumed that the only modification of the band structure related to temperature is a dilatation change in the fundamental energy gap. The dilatation changes of fundamental gaps are calculated for both materials using available experimental data. Computations of the band structures in the presence of a magnetic field are carried out employing five-level P·p model appropriate for medium-gap semiconductors. In particular, the model takes into account spin splitting due to bulk inversion asymmetry (BIA) of the materials. The resulting theoretical effective masses and g factors increase with electron energy due to band nonparabolicity. Average g values are calculated by summing over populated Landau and spin levels properly accounting for the thermal distribution of electrons in the band. It is shown that the spin splitting due to BIA in the presence of a magnetic field gives observable contributions to g values. Our calculations are in good agreement with experiments in the temperature range of 0 K to 300 K for CdTe and 0 K to 180 K for InP. The temperature dependence of g is stronger in CdTe than in InP due to different signs of band-edge g values in the two materials. Good agreement between the theory and experiments strongly indicates that the temperature dependence of spin g factors is correctly explained. In addition, we discuss formulas for the energy dependence of spin g factor due to band nonparabolicity, which are liable to misinterpretation.
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71.18.+y Fermi surface: calculations and measurements; effective mass, g factor
71.70.Di Landau levels
71.20.Nr Semiconductor compounds
71.70.Ej Spin-orbit coupling, Zeeman and Stark splitting, Jahn-Teller effect

Optically controlled spin-dependent Andreev reflection and spin accumulation in a quantum dot

Hui Pan and Rong Lü

J. Appl. Phys. 111, 083706 (2012); http://dx.doi.org/10.1063/1.3703662 (7 pages)

Online Publication Date: 17 April 2012

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We theoretically investigate the Andreev reflection and the spin accumulation in a quantum dot subjected to a continuous circularly polarized optical irradiation. Due to the optical pumping effects, electrons having a certain spin experience the Rabi oscillation and their energy levels are shifted by the Rabi frequency. Correspondingly, only electrons with certain spin can contribute to the current by adjusting the dot level and the bias voltage. The Andreev reflection current thus becomes spin dependent and exhibits a tunable spin polarization. Furthermore, the electron occupation number in the quantum dot also becomes spin dependent and exhibits a strong spin accumulation. The magnitude and direction of the spin accumulation in the quantum dot can be easily controlled by tuning the dot level and the bias voltage. This provides an efficient mechanism to control the Andreev reflection and spin accumulation in the quantum dot.
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73.21.La Quantum dots
71.20.Nr Semiconductor compounds
72.25.-b Spin polarized transport
FREE

Calculation of the lattice dynamics and Raman spectra of copper zinc tin chalcogenides and comparison to experiments

Ankur Khare, Burak Himmetoglu, Melissa Johnson, David J. Norris, Matteo Cococcioni, and Eray S. Aydil

J. Appl. Phys. 111, 083707 (2012); http://dx.doi.org/10.1063/1.4704191 (9 pages) | Cited 3 times

Online Publication Date: 18 April 2012

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The electronic structure, lattice dynamics, and Raman spectra of the kesterite, stannite, and pre-mixed Cu-Au (PMCA) structures of Cu2ZnSnS4 (CZTS) and Cu2ZnSnSe4 (CZTSe) were calculated using density functional theory (DFT). Differences in longitudinal and transverse optical (LO-TO) splitting in kesterite, stannite, and PMCA structures can be used to differentiate them. The Γ-point phonon frequencies, which give rise to Raman scattering, exhibit small but measurable shifts, for these three structures. Experimentally measured Raman scattering from CZTS and CZTSe thin films were examined in light of DFT calculations and deconvoluted to explain subtle shifts and asymmetric line shapes often observed in CZTS and CZTSe Raman spectra. Raman spectroscopy in conjunction with ab initio calculations can be used to differentiate between kesterite, stannite, and PMCA structures of CZTS and CZTSe.
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78.35.+c Brillouin and Rayleigh scattering; other light scattering
71.23.Cq Amorphous semiconductors, metallic glasses, glasses
78.66.Jg Amorphous semiconductors; glasses
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
71.15.-m Methods of electronic structure calculations

Conductance oscillation of graphene nanoribbon with tilted p-n junction

Mou Yang, Xian-Jin Ran, Yan Cui, and Rui-Qiang Wang

J. Appl. Phys. 111, 083708 (2012); http://dx.doi.org/10.1063/1.4704388 (4 pages)

Online Publication Date: 18 April 2012

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We investigate the transport properties of a graphene nanoribbon with a tilted p-n junction. The conductance versus the Fermi energy shows step structures when the tilt angle is small. For the large tilt angles, the conductance oscillates rapidly with the tilt angle increasing, and the conductance decays non-monotonically with the longitudinal length of the p-n junction area. Based on the subband analysis, we explain these effects by the mix and the interference between different subbands of the ribbon.
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73.63.Bd Nanocrystalline materials
72.80.Vp Electronic transport in graphene
73.22.Pr Electronic structure of graphene

Metal-insulator transition in doped Ca2RuO4: Potential application in bolometric detection

D. Fobes, E. Vehstedt, J. Peng, G. C. Wang, T. J. Liu, and Z. Q. Mao

J. Appl. Phys. 111, 083709 (2012); http://dx.doi.org/10.1063/1.4704387 (4 pages)

Online Publication Date: 19 April 2012

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We report that the first-order metal-insulator (MI) transition in perovskite ruthenate Ca2RuO4 can be tuned to a nearly second order transition with the transition temperature close to room temperature via Sr, Ti, and Fe chemical doping. The resistivity near this transition ranges from 10-2-10-1Ω-cm. The maximum temperature coefficient of resistance TCR(= −(1/R)dR/dT near the transition exceeds 0.4 K−1. This MI transition can also be tuned by a relatively small bias-current. These properties suggest that doped calcium ruthenates can be considered an alternative material for improving upon existing bolometric technologies.
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71.30.+h Metal-insulator transitions and other electronic transitions
72.60.+g Mixed conductivity and conductivity transitions
07.57.Kp Bolometers; infrared, submillimeter wave, microwave, and radiowave receivers and detectors

Three-step H2Se/Ar/H2S reaction of Cu-In-Ga precursors for controlled composition and adhesion of Cu(In,Ga)(Se,S)2 thin films

Kihwan Kim, Gregory M. Hanket, Trang Huynh, and William N. Shafarman

J. Appl. Phys. 111, 083710 (2012); http://dx.doi.org/10.1063/1.4704390 (8 pages) | Cited 1 time

Online Publication Date: 19 April 2012

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Control of the through-film composition and adhesion are critical issues for Cu(In,Ga)Se2 (CIGS) and/or Cu(In,Ga)(Se,S)2 (CIGSS) films formed by the reaction of Cu–In–Ga metal precursor films in H2Se or H2S. In this work, CIGSS films with homogenous Ga distribution and good adhesion were formed using a three-step reaction involving: (1) selenization in H2Se at 400 °C for 60 min, (2) temperature ramp-up to 550 °C and annealing in Ar for 20 min, and (3) sulfization in H2S at 550 °C for 10 min. The 1st selenization step led to fine grain microstructure with Ga accumulation near the Mo back contact, primarily in a Cu9(In1−xGax)4 phase. The 2nd Ar anneal step produces significant grain growth with homogenous through-film Ga distribution and the formation of an InSe binary compound near the Mo back contact. The 3rd sulfization step did not result in any additional change in Ga distribution or film microstructure but a small S incorporation near the CIGSS film surface and complete reaction of InSe to form CIGSS were observed. The three-step process facilitates good control of the film properties by separating different effects of the reaction process and a film growth model is proposed. Finally, CIGSS solar cells with the three-step reaction were fabricated and devices with efficiency = 14.2% and VOC = 599 mV were obtained.
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68.55.ag Semiconductors
81.40.Gh Other heat and thermomechanical treatments

Changes in structural and electronic properties of graphene grown on 6H-SiC(0001) induced by Na deposition

S. Watcharinyanon, L. I. Johansson, C. Xia, and C. Virojanadara

J. Appl. Phys. 111, 083711 (2012); http://dx.doi.org/10.1063/1.4704396 (6 pages) | Cited 1 time

Online Publication Date: 19 April 2012

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The effects of Na deposited on monolayer graphene on SiC(001) were investigated by synchrotron-based photoelectron spectroscopy and angle resolved photoelectron spectroscopy. The experimental results show that Na prefers to adsorb on the graphene layer after deposition at room temperature. Nonetheless, part of the Na atoms are able to intercalate in between the graphene and the buffer layer and some go even further into the substrate interface as indicated by the shift of the bulk SiC component in the C 1s and Si 2p core level spectra. The ARPES spectrum exhibits a lowering of the Dirac point indicating increased n-type doping of the monolayer graphene induced by the deposited Na atoms. Upon subsequently heating the sample, we found that a slightly elevated temperature is essential in order to promote Na intercalation. A fully Na intercalation at the graphene-SiC interface is obtained after heating at a temperature of about 75 °C. The intercalated Na decouples the buffer layer and transforms it into a second graphene layer so two π-bands are observed in the ARPES spectra. Interestingly, the two bands show different locations of the Dirac point but both exhibit linear dispersion in the vicinity of the math point and not the hyperbolic dispersion observed for AB stacked bi-layer graphene. When heating the sample to about 125 °C or higher, Na is found to leave the interface and the second graphene layer is transformed back to the carbon buffer layer.
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73.22.Pr Electronic structure of graphene
61.48.Gh Structure of graphene
68.43.Mn Adsorption kinetics
68.47.Pe Langmuir-Blodgett films on solids; polymers on surfaces; biological molecules on surfaces
79.60.Dp Adsorbed layers and thin films
73.20.At Surface states, band structure, electron density of states

Conductivity mechanism of nanosized silver layer embedded in indium zinc oxide

Jian Sun, Weng Soon Lai, and Hao Gong

J. Appl. Phys. 111, 083712 (2012); http://dx.doi.org/10.1063/1.4704686 (5 pages) | Cited 1 time

Online Publication Date: 19 April 2012

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Silver (Ag) embedding in indium zinc oxide (IZO) leads to abnormal conductivity behavior for IZO-Ag-IZO (IAI) system. When Ag layer is thinner than a critical Ag thickness, the IAI sample shows semiconductor behavior, and its resistivity is unexpectedly higher than that of IZO but decreases with an increase in Ag thickness. After surpassing the critical thickness, metallic conduction characteristics appear and the resistivity is lower than IZO and decreases with further increasing Ag thickness. A conduction model/formula is proposed, by which experimental data are well fitted. Haacke figure of merit can be 3 times higher than that of IZO.
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73.40.Ns Metal-nonmetal contacts

Stability and magnetism of tetracyanoethylene adsorbed on substitutionally doped graphene

Yongliang Yong, Bin Song, Kai Liu, and Pimo He

J. Appl. Phys. 111, 083713 (2012); http://dx.doi.org/10.1063/1.4705365 (7 pages)

Online Publication Date: 25 April 2012

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The stability and magnetism of tetracyanoethylene (TCNE) adsorbed on Si-, B-, and N-doped graphenes are investigated using the spin-polarized density functional theory. TCNE molecules energetically prefer chemisorption on Si-doped graphene, whereas they favor physisorption on B- and N-doped graphenes. The interaction between TCNE molecules and graphene can be improved by doping, which induces a remarkable change in the electronic properties of graphene. The magnetic moment due to the adsorption depends on the adsorption orientation of TCNE and the substitutionally doped atoms. Furthermore, spin density analysis shows that the magnetic moment is located mainly on the TCNE molecule.
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75.30.Cr Saturation moments and magnetic susceptibilities
73.22.Pr Electronic structure of graphene
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
71.45.Gm Exchange, correlation, dielectric and magnetic response functions, plasmons
71.70.Gm Exchange interactions
75.30.Et Exchange and superexchange interactions

Nonequilibrium charge carriers and linear galvanomagnetic phenomena in semiconductors

S. Molina-Valdovinos and Yu. G. Gurevich

J. Appl. Phys. 111, 083714 (2012); http://dx.doi.org/10.1063/1.4705399 (8 pages)

Online Publication Date: 25 April 2012

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In linear approximations using small electric Ex and magnetic Hy fields, nonequilibrium carriers appear in bounded semiconductors orthogonal to the electric field. An expression for the longitudinal magnetoresistance in a finite bipolar semiconductor is obtained by taking into account the redistribution of the nonequilibrium carriers along the z axis (thickness 2b), the generation and recombination processes assisted by traps (Shockley-Read model), and the different surface recombination velocities. For the first time, it is shown that the redistribution of nonequilibrium carriers generates a change in the conductivity from the classical value. In this case, two new terms appear, which depend on the thickness b. The first contribution to the magnetoresistance exhibits a linear dependence on the magnetic field, where the conductivity of the semiconductor increases or decreases depending on the magnetic field orientation. The second contribution shows a quadratic dependence on the magnetic field. The changes in current density in the cases of strong and weak recombination, and in the cases of intrinsic and extrinsic semiconductors, are also studied.
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73.25.+i Surface conductivity and carrier phenomena
72.20.My Galvanomagnetic and other magnetotransport effects
72.20.Jv Charge carriers: generation, recombination, lifetime, and trapping

Hydrodynamic model for electron-hole plasma in graphene

D. Svintsov, V. Vyurkov, S. Yurchenko, T. Otsuji, and V. Ryzhii

J. Appl. Phys. 111, 083715 (2012); http://dx.doi.org/10.1063/1.4705382 (10 pages) | Cited 5 times

Online Publication Date: 26 April 2012

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We propose a hydrodynamic model describing steady-state and dynamic electron and hole transport properties of graphene structures which accounts for the features of the electron and hole spectra. It is intended for electron-hole plasma in graphene characterized by high rate of inter-carrier scattering compared to external scattering (on phonons and impurities), i.e., for intrinsic or optically pumped (bipolar plasma), and gated graphene (virtually monopolar plasma). We demonstrate that the effect of strong interaction of electrons and holes on their transport can be treated as a viscous friction between the electron and hole components. We apply the developed model for the calculations of the graphene dc conductivity; in particular, the effect of mutual drag of electrons and holes is described. The spectra and damping of collective excitations in graphene in the bipolar and monopolar limits are found. It is shown that at high gate voltages and, hence, at high electron and low hole densities (or vice-versa), the excitations are associated with the self-consistent electric field and the hydrodynamic pressure (plasma waves). In intrinsic and optically pumped graphene, the waves constitute quasineutral perturbations of the electron and hole densities (electron-hole sound waves) with the velocity being dependent only on the fundamental graphene constants.
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72.80.Vp Electronic transport in graphene
72.10.Fk Scattering by point defects, dislocations, surfaces, and other imperfections (including Kondo effect)
72.30.+q High-frequency effects; plasma effects
61.48.Gh Structure of graphene

Electronic properties of individual diarylethene molecules studied using scanning tunneling spectroscopy

Arramel, T. C. Pijper, T. Kudernac, N. Katsonis, M. van der Maas, B. L. Feringa, and B. J. van Wees

J. Appl. Phys. 111, 083716 (2012); http://dx.doi.org/10.1063/1.4706568 (6 pages)

Online Publication Date: 26 April 2012

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The investigation of the electronic conduction through monosulfurdiarylethene (1S-DE) immobilized in an insulating dodecanethiol matrix on a gold surface was addressed. Scanning tunneling spectroscopy allows to probe spatially the frontier molecular orbitals of 1S-DE at 77 K. We locally extracted the electronic highest occupied molecular orbital-lowest unoccupied molecular orbital gap of 1S-DE with the value of 1.56 eV. This attempt reveals the importance of scanning tunneling spectroscopy as a tool to measure the charge transport properties of diarylethene towards the realization of a switching-based molecular device.
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71.20.Rv Polymers and organic compounds
68.37.Ef Scanning tunneling microscopy (including chemistry induced with STM)

Defect energy levels and electronic behavior of Ni-, Co-, and As-doped synthetic pyrite (FeS2)

S. W. Lehner, N. Newman, M. van Schilfgaarde, S. Bandyopadhyay, K. Savage, and P. R. Buseck

J. Appl. Phys. 111, 083717 (2012); http://dx.doi.org/10.1063/1.4706558 (8 pages)

Online Publication Date: 30 April 2012

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This work investigates the properties of Ni, Co, and As dopants in pyrite. Optical transmission spectroscopy and temperature-dependent Hall measurements were performed on doped pyrite crystals grown by chemical-vapor transport (CVT). The energy position(s) of the defect levels within the bandgap were determined from the optical spectrum. These values were then used to infer the concentration and occupancy of the defect levels from a statistical model fit to the temperature-dependent Hall concentration results. Doping pyrite with Ni atoms introduces partly filled, NiFe donor levels at 0.37 and 0.42 eV below the conduction band minimum (CBM). Doping with Co introduces a partially filled CoFe donor level at 0.09 eV below the CBM. Doping with As modifies the valence bands, which are of Fe d character. It reduces the gap slightly, and adds a hole. The Ni-doped, As-doped and undoped pyrite all have an absorption peak at 0.13 eV. Self-consistent GW electronic-structure calculations provide reliable conduction and valence band DOS for interpreting the optical spectra and fitting the data with the statistical model.
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71.55.Ht Other nonmetals
78.30.Hv Other nonmetallic inorganics
78.40.Ha Other nonmetallic inorganics
61.72.up Other materials
71.20.Ps Other inorganic compounds
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