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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Building Blocks for High-Efficiency Organic Photovoltaics: Interplay of Molecular, Crystal, and Electronic Properties in Post-Fullerene ITIC Ensembles

Accurate single-crystal X-ray diffraction data offer a unique opportunity to compare and contrast the atomistic details of bulk heterojunction photovoltaic small-molecule acceptor structure and packing, as well as provide an essential starting point for computational electronic structure and charge transport analysis. Herein, we report diffraction-derived crystal structures and computational analyses on the n-type semiconductors which enable some of the highest efficiency organic solar cells produced to date, 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2',3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene (ITIC) and seven derivatives (including three new crystal structures: 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-propylphenyl)-dithieno[2,3-d:2',3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene (ITIC-C3), 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(3-hexylphenyl)-dithieno[2,3-d:2',3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene (m-ITIC-C6), and 3,9-bis(2-methylene-((3-(1,1-dicyanomethylene)-6,7-difluoro)-indanone))-5,5,11,11-tetrakis(4-butylphenyl)-dithieno[2,3-d:2',3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene (ITIC-C4-4F). IDTT acceptors typically pack in a face-to-face fashion with π–π distances ranging from 3.28–3.95 Å. Additionally, edge-to-face packing is observed with S...π interactions as short as 3.21–3.24 Å. Moreover, ITIC end group identities and side chain substituents influence the nature and strength of noncovalent interactions (e.g. H-bonding, π–π) and thus correlate with the observed packing motif, electronic structure, and charge transport properties of the crystals. Furthermore, density functional theory (DFT) calculations reveal relatively large nearest-neighbor intermolecular π-π electronic couplings (5.85–56.8 meV) and correlate the nature of the band structure with the dispersion interactions in the single crystals and core–end group polarization effects. Overall, this combined experimental and theoretical work reveals key insights into crystal engineering strategies for indacenodithienothiophene (IDTT) acceptors, as well as general design rules for high-efficiency post-fullerene small molecule acceptors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Graphene-driven correlated electronic states in one dimensional defects within WS2

Tomonaga-Luttinger liquid (TLL) behavior in one-dimensional systems has been predicted and shown to occur at semiconductor-to-metal transitions within two-dimensional materials. Reports of one-dimensional defects hosting a Fermi liquid or a TLL have suggested a dependence on the underlying substrate, however, unveiling the physical details of electronic contributions from the substrate require cross-correlative investigation. Here, we study TLL formation within defectively engineered WS2 atop graphene, where band structure and the atomic environment is visualized with nano angle-resolved photoelectron spectroscopy, scanning tunneling microscopy and spectroscopy, and non-contact atomic force microscopy. Correlations between the local density of states and electronic band dispersion elucidated the electron transfer from graphene into a TLL hosted by one-dimensional metal (1DM) defects. It appears that the vertical heterostructure with graphene and the induced charge transfer from graphene into the 1DM is critical for the formation of a TLL.

Rossi, Antonio↗
DOE OSTI2015

Electronic properties of excess Cr at Fe site in FeCr{sub 0.02}Se alloy

We have studied the effect of substitution of transition-metal chromium (Cr) in excess on Fe sub-lattice in the electronic structure of iron-selenide alloys, FeCr{sub 0.02}Se. In our calculations, we used Korringa-Kohn-Rostoker coherent potential approximation method in the atomic sphere approximation (KKR-ASA-CPA). We obtained different band structure of this alloy with respect to the parent FeSe and this may be reason of changing their superconducting properties. We did unpolarized calculations for FeCr{sub 0.02}Se alloy in terms of density of states (DOS) and Fermi surfaces. The local density approximation (LDA) is used in terms of exchange correlation potential.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Identifying barriers to charge-carriers in the bulk and surface regions of Cu 2 ZnSnS 4 nanocrystal films by x-ray absorption fine structures (XAFSs)

Solar cell performance is most affected by the quality of the light absorber layer. For thin-film devices, this becomes a two-fold problem of maintaining a low-cost design with well-ordered nanocrystal (NC) structure. The use of Cu 2 ZnSnS 4 (CZTS) NCs as the light absorber films forms an ideal low-cost design, but the quaternary structure makes it difficult to maintain a well-ordered layer without the use of high-temperature treatments. There is little understanding of how CZTS NC structures affect the photoconversion efficiency, the charge-carriers, and therefore the performance of the device manufactured from it. To examine these relationships, the measured photoresponse from the photo-generation of charge-carrier electron-hole pairs was compared against the crystal structure, as short-range and long-range crystal orders for the films. The photoresponse simplifies the electronic properties into three basic steps that can be associated with changes in energy levels within the band structure. These changes result in the formation of barriers to charge-carrier flow. In this work, the extent of these barriers was determined using synchrotron-based X-ray absorbance fine structure to probe the individual metal centers in the film, and comparing these to molecular simulations of the ideal extended xray absorbance fine structure scattering. This allowed for the quantification of bond lengths, and thus an interpretation of the distortions in the crystal lattice. The various characteristics of the photoresponse were then correlated to the crystallographic order and used to gain physical insight into barriers to charge-carriers in the bulk and surface regions of CZTS films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Non-Parabolic Hydrodynamic Formulations for the Simulation of Inhomogeneous Semiconductor Devices

Hydrodynamic models are becoming prevalent design tools for small scale devices and other devices in which high energy effects can dominate transport. Most current hydrodynamic models use a parabolic band approximation to obtain fairly simple conservation equations. Interest in accounting for band structure effects in hydrodynamic device simulation has begun to grow since parabolic models cannot fully describe the transport in state of the art devices due to the distribution populating non-parabolic states within the band. This paper presents two different non-parabolic formulations or the hydrodynamic model suitable for the simulation of inhomogeneous semiconductor devices. The first formulation uses the Kane dispersion relationship ((hk)(exp 2)/2m = W(1 + alphaW). The second formulation makes use of a power law ((hk)(exp 2)/2m = xW(exp y)) for the dispersion relation. Hydrodynamic models which use the first formulation rely on the binomial expansion to obtain moment equations with closed form coefficients. This limits the energy range over which the model is valid. The power law formulation readily produces closed form coefficients similar to those obtained using the parabolic band approximation. However, the fitting parameters (x,y) are only valid over a limited energy range. The physical significance of the band non-parabolicity is discussed as well as the advantages/disadvantages and approximations of the two non-parabolic models. A companion paper describes device simulations based on the three dispersion relationships; parabolic, Kane dispersion and power law dispersion.

Smith, A. W.↗
NASA NTRS2013

View-angle-dependent AIRS Cloudiness and Radiance Variance: Analysis and Interpretation

Upper tropospheric clouds play an important role in the global energy budget and hydrological cycle. Significant view-angle asymmetry has been observed in upper-level tropical clouds derived from eight years of Atmospheric Infrared Sounder (AIRS) 15 um radiances. Here, we find that the asymmetry also exists in the extra-tropics. It is larger during day than that during night, more prominent near elevated terrain, and closely associated with deep convection and wind shear. The cloud radiance variance, a proxy for cloud inhomogeneity, has consistent characteristics of the asymmetry to those in the AIRS cloudiness. The leading causes of the view-dependent cloudiness asymmetry are the local time difference and small-scale organized cloud structures. The local time difference (1-1.5 hr) of upper-level (UL) clouds between two AIRS outermost views can create parts of the observed asymmetry. On the other hand, small-scale tilted and banded structures of the UL clouds can induce about half of the observed view-angle dependent differences in the AIRS cloud radiances and their variances. This estimate is inferred from analogous study using Microwave Humidity Sounder (MHS) radiances observed during the period of time when there were simultaneous measurements at two different view-angles from NOAA-18 and -19 satellites. The existence of tilted cloud structures and asymmetric 15 um and 6.7 um cloud radiances implies that cloud statistics would be view-angle dependent, and should be taken into account in radiative transfer calculations, measurement uncertainty evaluations and cloud climatology investigations. In addition, the momentum forcing in the upper troposphere from tilted clouds is also likely asymmetric, which can affect atmospheric circulation anisotropically.

AIRS↗
DOE OSTI2016

Inter-ribbon tunneling in graphene: An atomistic Bardeen approach

A weakly coupled system of two crossed graphene nanoribbons exhibits direct tunneling due to the overlap of the wavefunctions of both ribbons. We apply the Bardeen transfer Hamiltonian formalism, using atomistic band structure calculations to account for the effect of the atomic structure on the tunneling process. The strong quantum-size confinement of the nanoribbons is mirrored by the one-dimensional character of the electronic structure, resulting in properties that differ significantly from the case of inter-layer tunneling, where tunneling occurs between bulk two-dimensional graphene sheets. The current-voltage characteristics of the inter-ribbon tunneling structures exhibit resonance, as well as stepwise increases in current. Both features are caused by the energetic alignment of one-dimensional peaks in the density-of-states of the ribbons. Resonant tunneling occurs if the sign of the curvature of the coupled energy bands is equal, whereas a step-like increase in the current occurs if the signs are opposite. Changing the doping modulates the onset-voltage of the effects as well as their magnitude. Doping through electrostatic gating makes these structures promising for application towards steep slope switching devices. Using the atomistic empirical pseudopotentials based Bardeen transfer Hamiltonian method, inter-ribbon tunneling can be studied for the whole range of two-dimensional materials, such as transition metal dichalcogenides. The effects of resonance and of step-like increases in the current we observe in graphene ribbons are also expected in ribbons made from these alternative two-dimensional materials, because these effects are manifestations of the one-dimensional character of the density-of-states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Flux Crystal Growth of the RE 2 Ru 3 Ge 5 ( RE = La, Ce, Nd, Gd, Tb) Series and Their Magnetic and Metamagnetic Transitions

Previously synthesized only as powders, single crystals of the RE 2 Ru 3 Ge 5 (RE = La, Ce, Nd, Gd, Tb) series of compounds have been now been obtained from molten In. We report that these materials crystallize with the U 2 Co 3 Si 5 -type structure in orthorhombic space group Ibam with lattice parameters a ~ 10.00-9.77 Å (La-Tb), b ~ 12.51-12.35 Å, and c ~ 5.92-5.72 Å. The structure is a three-dimensional framework consisting of RuGe 5 and RuGe 6 units, as well as Ge-Ge zigzag chains. This structure type, along with the other five (Sc 2 Fe 3 Si 5 , Lu 2 Co 3 Si 5 , Y 2 Rh 3 Sn 5 , Yb 2 Ir 3 Ge 5 , and Yb 2 Pt 3 Sn 5 ) to compose the RE 2 T 3 X 5 phase space, are discussed in depth. For the three compounds with RE = Nd, Gd, and Tb, multiple magnetic transitions and metamagnetic behavior are observed. Lastly, electronic band structure calculations performed on La 2 Ru 3 Ge 5 indicate that these materials have a negative band gap and are semimetallic in nature.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Chemical pressure effect on the optical conductivity of the nodal-line semimetals ZrSi Y ( Y = S,Se,Te) and ZrGe Y ( Y = S,Te)

ZrSiS is a nodal-line semimetal, whose electronic band structure contains a diamond-shaped line of Dirac nodes. We carried out a comparative study on the optical conductivity of ZrSiS and the related compounds ZrSiSe, ZrSiTe, ZrGeS, and ZrGeTe by reflectivity measurements over a broad frequency range combined with density functional theory calculations. The optical conductivity exhibits a distinct U shape, ending at a sharp peak at around 10 000 cm –1 for all studied compounds except for ZrSiTe. The U shape of the optical conductivity is due to transitions between the linearly dispersing bands crossing each other along the nodal line. The sharp high-energy peak is related to transitions between almost parallel bands, and its energy position depends on the interlayer bonding correlated with the c/a ratio, which can be tuned by either chemical or external pressure. For ZrSiTe, another pair of crossing bands appears in the vicinity of the Fermi level, corrugating the nodal-line electronic structure and leading to the observed difference in optical conductivity. Here, the findings suggest that the Dirac physics in ZrXY compounds with X = Si,Ge and Y = S,Se,Te is closely connected to the interlayer bonding.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Engineered Mott ground state in a LaTiO 3+δ /LaNiO 3 heterostructure

In pursuit of creating cuprate-like electronic and orbital structures, artificial heterostructures based on LaNiO 3 have inspired a wealth of exciting experimental and theoretical results. However, to date there is a very limited experimental understanding of the electronic and orbital states emerging from interfacial charge transfer and their connections to the modified band structure at the interface. Towards this goal, we have synthesized a prototypical superlattice composed of a correlated metal LaNiO 3 and a doped Mott insulator LaTiO 3+δ , and investigated its electronic structure by resonant X-ray absorption spectroscopy combined with X-ray photoemission spectroscopy, electrical transport and theory calculations. The heterostructure exhibits interfacial charge transfer from Ti to Ni sites, giving rise to an insulating ground state with orbital polarization and e g orbital band splitting. Here, our findings demonstrate how the control over charge at the interface can be effectively used to create exotic electronic, orbital and spin states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

The Two-Dimensional A x Cd x Bi 4– x Q 6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials

We report the new layered chalcogenides A x Cd x Bi 4–x Q 6 (A = Cs, Rb, K; Q = S and A = Cs; Q = Se). All compounds are isostructural crystallizing in the orthorhombic space group Cmcm, with a = 4.0216(8) Å, b = 6.9537(14) Å, c = 24.203(5) Å for Cs 1.43 Cd 1.43 Bi 2.57 S 6 (x = 1.43); a = 3.9968(8) Å, b = 6.9243(14) Å, c = 23.700(5) Å for Rb 1.54 Cd 1.54 Bi 2.46 S 6 (x = 1.54); a = 3.9986(8) Å, b = 6.9200(14) Å, c = 23.184(5) Å for K 1.83 Cd1.83Bi2.17S6 (x = 1.83) and a = 4.1363(8) Å, b = 7.1476(14) Å, c = 25.047(5) Å for Cs 1.13 Cd 1.13 Bi 2.87 Se 6 (x = 1.13). These structures are intercalated derivatives of the Bi 2 Se 3 structure by way of replacing some Bi 3+ atoms with divalent Cd 2+ atoms forming negatively charged Bi 2 Se 3 -type quintuple [Cd x Bi 2–x Se 3 ] x- layers. The bandgaps of these compounds are between 1.00 eV for Q = Se and 1.37 eV for Q = S. Electronic band structure calculations at the density functional theory (DFT) level indicate Cs 1.13 Cd 1.13 Bi 2.87 Se 6 and Cs 1.43 Cd 1.43 Bi 2.57 S 6 to be direct band gap semiconductors. Polycrystalline Cs 1.43 Cd 1.43 Bi 2.57 S 6 samples show n-type conduction and an extremely low thermal conductivity of 0.33 W·m –1 ·K –1 at 773 K. The cesium ions between the layers of Cs 1.43 Cd 1.43 Bi 2.57 S 6 are mobile and can be topotactically exchanged with Pb 2+ , Zn 2+ , Co 2+ and Cd 2+ in aqueous solution. The intercalation of metal cations presents a direct “soft chemical” route to create new materials.

Source record↗
DOE OSTI2018

High power experimental studies of hybrid photonic band gap accelerator structures

This paper reports the first high power tests of hybrid Photonic Band Gap (PBG) accelerator structures. Three hybrid PBG (HPBG) structures were designed, built and tested at 17.14 GHz. Each structure had a triangular lattice array with 60 inner sapphire rods and 24 outer copper rods sandwiched between copper disks. The dielectric PBG band gap map allows the unique feature of overmoded operation in a TM02 mode, with suppression of both lower order modes, such as the TM11 mode, as well as higher order modes. The use of sapphire rods, which have negligible dielectric loss, required inclusion of the dielectric birefringence in the design. The three structures were designed to sequentially reduce the peak surface electric field. Simulations showed relatively high surface fields at the triple point as well as in any gaps between components in the clamped assembly. The third structure used sapphire rods with small pin extensions at each end and obtained the highest gradient of 19 MV/m, corresponding to a surface electric field of 78 MV/m, with a breakdown probability of 0.5 per pulse per meter for a 100-ns input power pulse. Operation at a gradient above 20 MV/m led to runaway breakdowns with extensive light emission and eventual damage. For all three structures, multipactor light emission was observed at gradients well below the breakdown threshold. This research indicated that multipactor triggered at the triple point limited the operational gradient of the hybrid structure.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

A Ba 6 Cu 31 Te 22 ( A = K, Rb, Cs) Featuring Polyanionic Copper–Telluride Frameworks with Ultralow Thermal Conductivity

In this study, hree polyanionic tellurides, ABa 6 Cu 31 Te 22 (A = K, Rb, Cs), were synthesized in salt flux. The isostructural tellurides crystallize in a new structure type, in the cubic Pa$\overline{3}$ space group with a Wyckoff sequence of d 10 c 2 b 1 and large unit cell volumes of over 5500 Å 3 . The structures feature a framework of [CuTe 4 ] tetrahedra and [CuTe 3 ] trigonal pyramids with disorder in the Cu sites. The polyanionic frameworks have large square antiprism and cuboctahedral voids where Ba and alkali metal cations are situated, forming [BaTe 8 ] and [ATe 12 ], respectively. The overall compositions are close to being charge balanced. The large [ATe 12 ] cuboctahedra allowed for significant anisotropic displacement of the A cations, as observed from both single crystal X-ray diffraction and heat capacity studies. Alkali cations rattling together with Cu atom displacement and disorder leads to the dispersion of phonons, thus softening the lattice and subsequently reducing the thermal conductivity. Evaluations of the electronic band structure revealed the occurrence of a narrow bandgap together with the presence of a flat band near the valence band maximum, giving rise to the high thermopower. The Cs and Rb analogues show a slope change in the temperature dependence of electrical resistivity around room temperature, which is typical for semimetals or degenerate semiconductors. For the as-synthesized and unoptimized materials, high values of the thermoelectric figure-of-merit of ~0.2 were observed at 623 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Band gap dependence of exciton Lande factor in lead halide perovskites

The optical properties of lead halide perovskite semiconductors in vicinity of the bandgap are controlled by excitons, so that investigation of their fundamental properties is of critical importance. The exciton Landé or g-factor g X is the key parameter, determining the exciton Zeeman spin splitting in magnetic fields. The exciton, electron, and hole carrier g-factors provide information on the band structure, including its anisotropy, and the parameters contributing to the electron and hole effective masses. Here, g X is measured by reflectivity in magnetic fields up to 60 T for lead halide perovskite crystals. The materials band gap energies at a liquid helium temperature vary widely across the visible spectral range from 1.520 up to 3.213 eV in hybrid organic–inorganic and fully inorganic perovskites with different cations and halogens: FA 0.9 Cs 0.1 PbI 2.8 Br 0.2 , MAPbI 3 , FAPbBr 3 , CsPbBr 3 , and MAPb(Br 0.05 Cl 0.95 ) 3 . The exciton g-factors are found to be nearly constant, ranging from +2.3 to +2.7. Thus, the strong dependences of the electron and hole g-factors on the bandgap roughly compensate each other when combining to the exciton g-factor. The same is true for the anisotropies of the carrier g-factors, resulting in a nearly isotropic exciton g-factor. The experimental data are compared favorably with model calculation results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Insight into Structural, Electronic, Magnetic, Mechanical, and Thermodynamic Properties of Actinide Perovskite BaPuO{sub 3}

In this paper, we have performed a systematic investigation on structural, magnetic, electronic, mechanical, and thermodynamic properties of BaPuO{sub 3} perovskite within density functional theory (DFT) using generalized gradient approximations (GGA), onsite coulomb repulsion (GGA + U), and modified Becke-Johnson (mBJ). The calculated structural parameters were found in good agreement with the experimental results. A large value of magnetic moment equal to integer value of 4 μ{sub B} was obtained for the compound. The spin-polarized electronic band structure and density of states present 100% of spin polarization at Fermi level, resulting in half-metallic nature for the compound with spin-up states as metallic and spin- down states as a semiconducting. The elastic and mechanical properties have also been predicted. Moreover, we have calculated thermodynamic properties like Debye temperature (𝜃{sub D}), specific heat (C{sub V}), entropy (S), etc. using quasi-harmonic Debye model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Effect of neodymium doping on structure, electrical and optical properties of nanocrystalline ZnO

In this paper, we report effect of Nd doping on structure, electrical and optical properties of nanocrystalline ZnO prepared through a modified ceramic route. The X-ray diffraction and transmission electron microscopy studies reveal that annealed samples are single phase, pure nanocrystalline ZnO. The optical band gap for different compositions, estimated from ultraviolet-visible spectroscopy study, shows a little increasing tendency while doped with Nd for the samples annealed at lower temperature. The dc electrical conductivity of the samples decreases with the increase in Nd concentration. The ac electrical measurements prove the hopping conduction as the dominant mechanism. The results are being explained on the basis of band structural change due to Nd doping in the host lattice and by Correlated Barrier Hopping model. - Highlights: Black-Right-Pointing-Pointer Particle size increases when it is doped (from XRD). Black-Right-Pointing-Pointer XRD peak shifted to lower angle when doped. Black-Right-Pointing-Pointer The dc conductivity decreases with the increase of Nd dopant concentrations. Black-Right-Pointing-Pointer The temperature dependent ac conductivity follows the universal power law.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Structural, electronic and vibrational properties of lanthanide monophosphide at high pressure

A first-principles plane wave self-consistent method with the ultra-soft-pseudopotential scheme in the framework of the density functional theory (DFT) is performed to study structural, electronic and vibrational properties of LaP for Rock-salt (NaCl/Bl) and Cesium-chloride (CsCl/B2) phases. The instability of Rock-salt (NaCl/Bl) phases around the transition is discussed. Conclusions based on electronic energy band structure, density of state, phonon dispersion and phonon density of states in both phases are outlined. The calculated results are consistence and confirm the successful applicability of quasi-harmonic phonon theory for structural instability studies for the alloys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Orientation dependence of temporal and spectral properties of high-order harmonics in solids [Orientation dependence of high-harmonic temporal and spectral properties in solids]

We investigate the connection between crystal symmetry and temporal and spectral properties of high-order harmonics in solids. We calculate the orientation-dependent harmonic spectrum driven by an intense, linearly polarized infrared laser field, using a momentum-space description of the generation process in terms of strong-field-driven electron dynamics on the band structure. We show that the orientation dependence of both the spectral yield and the subcycle time profile of the harmonic radiation can be understood in terms of the coupling strengths and relative curvatures of the valence band and the low-lying conduction bands. In particular, we show that in some systems this gives rise to a rapid shift of a quarter optical cycle in the timing of harmonics in the secondary plateau as the crystal is rotated relative to the laser polarization. Here, we address recent experimental results in MgO and show that the observed change in orientation dependence for the highest harmonics can be interpreted in the momentum space picture in terms of the contributions of several different conduction bands.

74 ATOMIC AND MOLECULAR PHYSICS↗