Microscopic theory of covalent-ionic transition at metal-semiconductor interfaces

The microscopic mechanism responsible for the reduction of Schottky barrier heights at interfaces between metals and covalent semiconductors id not effective at similar interfaces between metals and ionic semiconductors. The critical polarizability ?_c at which the transition between one regime and the other takes place is calculated theoretically to be 7, in good agreement with experimental values of 5–6.     

Analysis of C60 and Cs sputtering ions for depth profiling gold/silicon and GaAs multilayer samples by time of flight secondary ion mass spectrometry

Time of flight secondary ion mass spectrometry (ToF-SIMS) depth profiles of several inorganic layered samples using Cs⁺ and C₆₀⁺ primary sputtering ions of different energies are compared to evaluate sputter yield and depth resolution. A gold/silicon model system is employed to study interfaces between metals and semiconductors, and multilayers of AlGaAs, Al, and InAs in GaAs are analyzed to explore the ability of C₆₀⁺ to analyze semiconductor interfaces in GaAs. Roughness measurements are reported to differentiate between different factors affecting depth resolution. The best depth resolution from all samples analyzed is achieved using 1 keV Cs⁺. However, C₆₀⁺ sputtering has advantages for analyzing conductor/insulator interfaces because of its high sputter yield, and for analyzing deeper heterolayers in GaAs due to lower sputter-induced roughness.     

Metal-diamond semiconductor interface and photodiode application

Carrier transport mechanism at p-diamond/metal interfaces are studied by analyzing dependencies of specific contact resistance (ρ_c) on measurement temperature and acceptor concentration (N_A). A variety of metals, such as Ti, Mo, Cr (carbide-forming metals), Pd, and Co (carbon-soluble metals), are deposited on boron-doped polycrystalline diamond layers, and the ρ_c values are measured by a transmission line method. Thermal annealing which produces metallurgical reactions between diamond and metal reduces Schottky barrier heights of the contact metals to a constant value. It is found that use of a metal compound which does not react with diamond at elevated temperatures is the key to develop the thermally stable Schottky contact material for p-diamond. Along this guideline, we test the suitability of tungsten carbide (WC) and hafnium nitride (HfN) as thermally stable Schottky contacts to develop a thermally stable, deep-ultraviolet (DUV) photodiode using a boron-doped homoepitaxial p-diamond epilayer. Thermal annealing at 500 °C improves the rectifying current-voltage characteristics of the photodiode, resulting in the excellent thermal stability. The discrimination ratio between DUV and visible light is measured to be as large as 10⁶ at a reverse bias voltage as small as 2 V, and it remains almost constant after annealing at 500 °C for 5 h. Metal carbide and nitride contacts for diamond are thus useful for developing a thermally stable diamond DUV photodetector.     

Energy level alignment at interfaces between organic semiconductors and clean ferromagnetic La<Subscript>0.7</Subscript>Sr<Subscript>0.3</Subscript>MnO<Subscript>3</Subscript> thin film contacts for spin injection

We have studied the energy level alignment at interfaces between clean ferromagnetic La_0.7Sr_0.3MnO₃ and two archetype organic semiconductors, α-sexithiophene and copper-phthalocyanine, by combined X-ray and ultraviolet photoelectron spectroscopy. We observe the formation of a large interface dipole at both studied interfaces and small hole injection barriers. In addition, our results indicate a small chemical interaction between the organic materials and the La_0.7Sr_0.3MnO₃ surface which leads to a pinning of the Fermi level and the relatively small hole injection barriers.     

Investigation of Heusler alloy-semiconductor interfaces

Using the electron density functional theory, the electronic structure and magnetic properties of possible contacts on the (001) interface between XYZ and X ₂ YZ Heusler alloys (NiMnSb, Co₂ MnSi) and III–V semiconductors (InP, GaAs) are studied. It is demonstrated that, in both cases, the high degree of spin polarization is achieved in Ni/P(As) or Co/As contacts. The influence of structure defects located on the surface and interfaces on the spin polarization at the Fermi level is studied. The nature of surface states at the Heusler alloy-semiconductor interface and electron factors that favor preservation or loss of the half-metallic behavior in the contacts are analyzed. Calculations of the local magnetic moments show that the magnetic properties of atoms in the contact are not changed significantly at the interface because of the partial compensation of their coordination by atoms of the semiconductor. The spin polarization can be increased by doping of the X element sublattice.     

On absorption on polycrystalline substrates

The effect of a polycrystalline substrate on the charge of adatoms and on the work function is considered in terms of the Anderson-Newns model. Polycrystallinity is characterized by deviation δ? _i of the work function of the ith face from mean value 〈? _i 〉. It is found that polycrystallinity leads to an increase in the occupation numbers of adatoms as compared to absorption on a monocrystalline surface. This leads to a decrease in the value of charge in the case of electropositive adsorption and to an increase in its value in the case of electronegative adsorption. It is shown that the polycrystallinity effect must be manifested most strongly in the case of adsorption of gases at metals and semiconductors.     

Damping of optical phonons in metals and strongly doped semiconductors

The electron-phonon-induced damping of optical phonons arising in metals and strongly doped semiconductors under laser irradiation is investigated. The damping of both short-wave KV_F > ω₀ and long-wave KV_F < ω₀ optical phonons is calculated; K is the wavevector, ω₀ is the frequency of the optical phonon; V_F is the Fermi velocity. The electron- phonon-induced damping is important if the frequency of the optical phonon is larger than two frequencies of acoustic phonons of all branches in the range of the whole Brillouin zone. The damping of a soft transverse optical phonon in narrow-gap ferroelectric-semiconductors is also defined by the electron-phonon interaction. In other cases the main relaxation process for optical phonons in metals is the decay into two acoustic phonons due to lattice anharmonicity.     

The interaction of Cs and O2 on the basal plane of MoS2

The interaction of Cs and O₂ on MoS₂(0001) has been studied both in the alternate adsorption and the codeposition mode by LEED, AES, TDS and WF measurements at 170 and 300 K. Oxygen does not interact with Cs when θ_Cs?0.04 at 300 K or θ_Cs?0.08 at 170 K, where Cs is known to adsorb as strongly ionized, individual adatoms. The interaction at higher θ_Cs, where Cs is known to form clusters on MoS₂(0001), leads to clusters of a Cs/O complex characterized by a Cs(563 eV)/O(512 eV) Auger peak ratio of 1.1–1.3. The minimum WF is 2.1 eV at 300 and 170 K upon alternate adsorption, and 1.7 eV at both T upon codeposition. Upon heating, oxygen and Cs desorb independently, as no oxide desorption is observed. The Cs TDS spectrum is shifted to lower T in the presence of oxygen and a new desorption peak appears at ～ 880 K. The differences in the Cs/O interaction between MoS₂(0001) and other semiconductors and metals are attributed to the Cs clustering and the inertness of MoS₂(0001) to O₂ adsorption.     

Exciton condensation in intermediate valent Sm0.90La0.10S

Sm_1−xLa_xS for x more than a few percents are metals at ambient conditions. At low temperature and high pressure they develop a small gap in the order of some meV and become semiconductors or insulators. This has been interpreted as a manifestation of the excitonic insulator. In this Letter we will concentrate on Sm_0.90La_0.10S, which is the only composition showing a first order transition. Measurements of the volume change with pressure at ambient temperature show this first order volume collapse at 5 kbar with hysteresis. The resistivity is measured in function of temperature and pressure and exhibits also at 5 kbar and ambient temperature a first order phase transition to a more metallic state. At low temperatures and in function of pressure the resistivity exhibits a peak. The optical reflectivity at 300 K has been measured at low and high pressure and transforms with pressure above 5 kbar into the golden metallic phase.     

Influence of Se atoms on the properties of amorphous Ge

Electron spin resonance (ESR), electrical and optical measurements have been made for Ge_1?xSe_x (0?x?0.35) films in order to elucidate relations between tetrahedrally bonded amorphous semiconductors and chalcogenide amorphous semiconductors. The ESR signal due to dangling bonds in amorphous Ge decreases by increasing Se content. For more than about 20 at. % Se, the electrical conductivity is the activation type and the optical gap increases with the increase of Se content. The model of charged dangling bonds by Street and Mott seems to explain the experimental results.     

Theoretical study of magnetic ordering and electronic properties of AgxAl1−x N compounds

Ferromagnetic ordering of silver impurities in the AlN semiconductor is predicted by plane-wave ultrasoft pseudopotential and spin-polarized calculations based on density functional theory (DFT). It was found that an Ag impurity atom led to a ferromagnetic ground state in Ag_0.0625Al_0.9375N, with a net magnetic moment of 1.95 μ_B per supercell. The nitrogen neighbors at the basal plane in the AgN₄ tetrahedron are found to be the main contributors to the magnetization. This magnetic behavior is different from the ones previously reported on transition metal (TM) based dilute magnetic semiconductor (DMS), where the magnetic moment of the TM atom impurity is higher than those of the anions bonded to it. The calculated electronic structure band reveals that the Ag-doped AlN is p-type ferromagnetic semiconductor with a spin-polarized impurity band in the AlN band gap. In addition, the calculated density of states reveals that the ferromagnetic ground state originates from the strong hybridization between 4d-Ag and 2p-N states. This study shows that 4d transition metals such as silver may also be considered as candidates for ferromagnetic dopants in semiconductors.     

Reactivity and magnetism of Fe/InAs(100) interfaces

Interface reaction and magnetism of epitaxially-grown Fe on InAs(100) are studied by core-level photoemission (As 3d and In 4d) and Fe 2p X-ray magnetic circular dichroism using synchrotron radiation. The reactivity of Fe/InAs(100) is relatively low compared to that of other interfaces involving deposition of 3d metals on III-V semiconductors. As a consequence, we observe a magnetic signal at Fe L_{2, 3} edges for the lowest thicknesses studied (1 ML). The atomic magnetic moment reaches a value close to that of the bulk α-Fe (2.2 μ _B) for Fe coverages exceeding 5 ML. A ferromagnetic compound with approximate stoichiometry of FeAs is formed at the interface. The orbital magnetism represents between 12 and 20% of the total momentum, due to 3d density of states depletion and to crystal-field modification of the electronic levels. These properties make the Fe/InAs(100) interface very promising for spin-tunneling devices. Received 4 April 2002 / Received in final form 13 May 2002 Published online 31 July 2002     

High-field magnetoresistance and Hall effect in Bi2Sr2CuO x single crystals

We investigated the in-plane magnetoresistance and the Hall effect of high-quality Bi₂Sr₂CuO_x single crystals with T _c (midpoint) = 3.7–9.6 K in dc magnetic fields up to 23 T. For T < 10 K, the crystals show the classical positive magnetoresistance. Starting at T ≈ 14 K, an anomalous negative magnetoresistance appears at low magnetic fields; for T ≥ 40 K, the magnetoresistance is negative in the whole studied range of magnetic fields. Temperature and magnetic field dependences of the negative-magnetoresistance single crystals are qualitatively consistent with the electron interaction theory developed for simple semiconductors and disordered metals. As is observed in other cuprate superconductors, the Hall resistivity is negative in the mixed state and changes its sign with increasing field. The linear T-dependence of cotθ_H for the Hall angle in the normal state closely resembles that of the normal-state resistivity as expected for a Fermi liquid picture.     

Theoretical study of adhesion at the metal-zirconium dioxide interfaces

The atomic and electronic structure of the interfaces between metals with body-centered cubic (bcc) and face-centered cubic (fcc) structures and zirconium dioxide is studied systematically using the ab initio methods of the electron density functional theory (DFT). It is shown that high adhesion properties can be attained at the nonstoichiometric polar Me(001)/ZrO₂(001) interface with bcc metals from the middle of the 4d–5d periods (Mo, Ta, W, and Nb). Charge transfer from the metal to the oxide substrate ensures the strong ionic chemical bond on the metal-ceramic interfaces. The structural and electronic factors responsible for lowering of adhesion at differently oriented interfaces are analyzed. It is shown that a decrease of adhesion at the (110) nonpolar stoichiometric interface is due to an increase in the interfacial spacing as well as a decrease in the number of metal-oxygen bonds. The effect of doping with oxides (CaO, MgO, and Y₂O₃) stabilizing zirconium dioxide at low temperatures on the adhesion energy at the Me(001)/ZrO₂(001) interface is analyzed.     

Spallative ablation of dielectrics by X-ray laser

A short laser pulse in wide range of wavelengths, from infrared to X-ray, disturbs electron–ion equilibrium and increases pressure in a heated layer. The case where the pulse duration τ _L is shorter than acoustic relaxation time t _s is considered in the paper. It is shown that this short pulse may cause thermomechanical phenomena such as spallative ablation regardless of wavelength. While the physics of electron–ion relaxation strongly depends on wavelength and various electron spectra of substances: there are spectra with an energy gap in semiconductors and dielectrics opposed to gapless continuous spectra in metals. The paper describes entire sequence of thermomechanical processes from expansion, nucleation, foaming, and nanostructuring to spallation with particular attention to spallation by X-ray pulse.     

First-principles study of the structural, magnetic, and electronic properties of LiMBO3 (M = Mn, Fe, Co)

We present a first-principles calculation for the structural, magnetic, and electronic properties of LiMBO₃ (M = Mn, Fe, Co). Along the [0 0 1] direction, transition metals shows antiferromagnetic coupling in LiMBO₃ of both hexagonal and monoclinic lattices. The calculated magnetic moment of 5μB per formula unit is close to the experimental value. These compounds are semiconductors with band gap of 0.4-2 eV, and with average intercalation voltages of 2-4.8 V.     

Ferromagnetism in dilute magnetic semiconductors and new materials for spintronics

Spintronics materials may be classified under concentrated magnetic semiconductors, semimetals and half-metals, semimagnetic semiconductors, and dilute magnetic semiconductors (DMS). The nature of ferromagnetism, that occurs in p-type DMS with an increase in the transition metal content, is governed by the proposed kinematic exchange involving the kinetic energy gain of the heavy hole carriers caused by their hybridization with 3d electrons of impurities. The synthesis of DMS (In,Mn)Sb is proposed on the basis of hint at its T_C from kinematic mechanism. The effect of the dimensionality-driven T_C increase is derived for spintronics materials such as delta-doped DMS (DDMS) and DMS heterostructures. The state-of-the-art in the field of synthesis and research of “new” DMS with announced “high T_C” is also outlined with particular attention to chalcopyrite-based systems.     

Thermal conductivity and Lorentz number of the “Golden” phase of the Sm1−x GdxS system with homogeneous variable valence of samarium

The thermal conductivity and electrical resistivity are measured in the temperature range 160–300 K for two compositions of the “golden” phase of the Sm_1?x Gd_xS system with x=0.14 and 0.3, in which a homogeneous variable valence of samarium ions is observed. It is found that, in this temperature range, the experimentally obtained Lorentz number L appearing in the electron component of thermal conductivity for these compositions exceeds the theoretical Sommerfeld value L ₀=2.45×10^?8 WΩ/K² typical of metals and highly degenerate semiconductors. It is also proved that the value of L increases with temperature in the interval 160–300 K starting from 160 K. A theoretical model capable of explaining the obtained experimental results is discussed.     

Dilute magnetic semiconductors based on wide bandgap SiO2 with and without transition metal elements

Material designs based on the first principle calculations of electronic structures are proposed for α-quartz SiO₂-based dilute magnetic semiconductors. The incorporation of transition metals (TMs) into Si sites and of the non-TM atoms into O sites are treated for various concentrations. At temperatures higher than room temperature, most of the TM-doped SiO₂ have no magnetism, yet Si_1−xMn_xO₂ might achieve the ferromagnetism. The substitution of O by non-TM atoms as C or N also induces the magnetism in the host. However, while the N's substitution induces the ferromagnetism, C's substitution causes an anti-ferromagnetic behavior in the host material SiO₂.