Structural and electronic properties of hypothetical zinc blende Tl(x)Ga(1-x)N alloys have been investigated from first principles. The structural relaxation, preformed within the LDA approach, leads to a linear dependence of the lattice parameter a on the Tl content x. In turn, band structures obtained by MBJLDA calculations are significantly different from the corresponding LDA results. The decrease of the band-gap in Tl-doped GaN materials (for x<0.25) is predicted to be a linear function of x, i.e. 0.08 eV per atomic % of thallium. The semimetallic character is expected for materials with x>0.5. The obtained spin-orbit coupling driven splitting between the heavy-hole and split-off band at the Gamma point of the Brillouin zone in Tl(x)Ga(1-x)N systems is significantly weaker when compared to that of Tl-doped InN materials.
In this article, we estimate hydrostatic stress developed in gallium ion implanted gallium nitride epitaxial layers using Raman measurements. We have calculated deformation potential constants for $E_2$(high) mode in these epi-layers. The presence of a polar phonon-plasmon coupling in these systems has also been demonstrated. In as-implanted samples, with an increase in implantation fluence, we have observed disorder-activated Raman scattering.
Diffusion mechanism of beryllium in gallium nitride was investigated by analyzing temperature-dependent diffusion profiles from an infinite source. Beryllium atoms were implanted into a high structural quality gallium nitride layer crystallized by halide vapor phase epitaxy on an ammonothermal gallium nitride substrate. Post-implantation annealing was performed at different temperatures, between 1000°C and 1400°C, under high nitrogen pressure. Beryllium profiles were analyzed in the as-implanted and annealed samples by secondary ion mass spectrometry. It was shown that the diffusion of the dop…
The Nitrogen 1s near edge X-ray absorption fine structure (NEXAFS) of gallium nitride (GaN) shows a strong natural linear dichroism that arises from its anisotropic wurtzite structure. An additional spectroscopic variation arises from lattice strain in epitaxially grown GaN thin films. This variation is directly proportional to the degree of strain for some spectroscopic features. This strain variation is interpreted with the aid of density functional theory calculations.
The spectrum of two-dimensional (2D) materials beyond graphene offers a remarkable platform to study new phenomena in condensed matter physics. Among these materials, layered hexagonal boron nitride (hBN), with its wide bandgap energy (~5.0-6.0 eV), has clearly established that 2D nitrides are key to advancing novel devices1. A gap, however, remains between the theoretical prediction of 2D nitrides beyond hBN and experimental realization of such structures. Here we demonstrate the synthesis of 2D gallium nitride (GaN) via a novel migration-enhanced encapsulated growth (MEEG) technique utilizin…
Results solving the long standing puzzle regarding the phase diagram and the pressure evolution of the melting temperature Tm(P) of gallium nitride (GaN), the most promising semiconducting material for innovative modern electronic applications, are presented. The analysis is based on (i) studies of the decomposition curve in P-T plane up to challenging P equal 9 GPa, (ii) novel method enabling Tm(P) determination despite the earlier decomposition, and (iii) the pressure invariant parameterization of Tm(P) curve, showing the reversal melting for P greater-than 22 GPa. This is linked to a possib…
Measurement of zeta potential of Ga and N-face gallium nitride has been carried out as function of pH. Both the faces show negative zeta potential in the pH range 5.5-9. The Ga face has an isoelectric point at pH 5.5. The N-face shows higher negative zeta potential due to larger concentration of adsorbed oxygen. Zeta potential data clearly showed that H-terminated diamond seed solution at pH 8 will be optimal for the self assembly of a monolayer of diamond nanoparticles on the GaN surface. Subsequent growth of thin diamond films on GaN seeded with H-terminated diamond seeds produced fully coal…
Impurity levels and formation energies of acceptors in wurtzite GaN are predicted ab initio. Be_Ga is found to be the shallow (thermal ionization energy $\sim$ 0.06 eV); $Mg_{Ga}$ and $Zn_{Ga}$ are mid-deep acceptors (0.23 eV and 0.33 eV respectively); $Ca_{Ga}$ and $Cd_{Ga}$ are deep acceptors ($\sim$0.65 eV); $Si_N$ is a midgap trap with high formation energy; finally, contrary to recent claims, $C_N$ is a deep acceptor (0.65 eV). Interstitials and heteroantisites are energetically not competitive with substitutional incorporation.
The high TC ferromagnetism in (Ga,Mn)N were observed and almost all results are approximately similar to the experimental results in (Ga,Mn)As except the value of TC. Though all standard experiments on magnetism clearly support the results, the value is unexpectedly high. This work present and discuss the possibility of high TC ferromagnetism, after brief review of the experimental results. The key speculation to Bosonization method in three dimensions is resembled with the problems in Anderson localization.
This paper presents the preliminary results of optical characterization using spectroscopic ellipsometry of wurtzite indium gallium nitride (InxGa1-xN) thin films with medium indium content (0.38<x<0.68) that were deposited on silicon dioxide using plasma-enhanced evaporation. A Kramers-Kronig consistent parametric analytical model using Gaussian oscillators to describe the absorption spectra has been developed to extract the real and imaginary components of the dielectric function (ε1, ε2) of InxGa1-xN films. Scanning electron microscope (SEM) images are presented to examine film microstructu…
We report calculated, electronic and related properties of wurtzite and zinc blende gallium nitrides (w-GaN, zb-GaN). We employed a local density approximation (LDA) potential and the linear combination of atomic orbital (LCAO) formalism. The implementation of this formalism followed the Bagayoko, Zhao, and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF). The calculated electronic and related properties, for both structures of GaN, are in good agreement with corresponding, experimental data, unlike results from most previous ab initio calculations utilizing a density function…
Monitoring Gallium-Induced Damage in Aluminum Alloys Using Nonlinear Resonant Ultrasound Spectroscopy
Institute of Thermomechanics, Czech Academy of Sciences（捷克科学院热力学研究所）；Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague（布拉格捷克理工大学核科学与物理工程学院）；DISAT, Condensed Matter Physics and Complex Systems Institute, Politecnico di Torino（都灵理工大学生化与物理技术系凝聚态物理与复杂系统研究所）
The dispersion of the A-valence-band in GaN has been deduced from the observation of high-index magneto-excitonic states in polarised interband magneto-reflectivity and is found to be strongly non-parabolic with a mass in the range 1.2-1.8 m_{e}. It matches the theory of Kim et al. [Phys. Rev. B 56, 7363 (1997)] extremely well, which also gives a strong k-dependent A-valence-band mass. A strong phonon coupling leads to quenching of the observed transitions at an LO-phonon energy above the band gap and a strong non-parabolicity. The valence band was deduced from subtracting from the reduced dis…
We have presented an analytical physics-based compact model of GaN power FET, which can accurately describe the I-V characteristics in all operation modes. The model considers the source-drain resistance, different interface trap densities and self-heating effects.
The carrier emission efficiency of light emitting diodes is of fundamental importance for many technological applications, including the performance of GaN and other semiconductor photocathodes. We have measured the evolution of the emitted carriers and the associated transient electric field after femtosecond laser excitation of n-type GaN single crystals. These processes were studied using subpicosecond, ultrashort, electron pulses and explained by means of a three-layer analytical model. We find that for pump laser intensities on the order of 10^11 W/cm^2, the electrons that escaped from th…
The long-missing polarization-induced two-dimensional hole gas is finally observed in undoped gallium nitride quantum wells. Experimental results provide unambiguous proof that a 2D hole gas in GaN grown on AlN does not need acceptor doping, and can be formed entirely by the difference in the internal polarization fields across the semiconductor heterojunction. The measured 2D hole gas densities, about $4 \times 10^{13}$ cm$^{-2}$, are among the highest among all known semiconductors and remain unchanged down to cryogenic temperatures. Some of the lowest sheet resistances of all wide-bandgap s…
Predictive first-principles calculations suggest graphitic-like GaN to be theoretically possible. Thus far, it has not been experimentally reported. We report on GaN monolayer in a buckled geometry obtained in confinement at graphene/SiC interface by metalorganic chemical vapor deposition (MOCVD). Conductive atomic force microscopy (C-AFM) has been employed to probe vertical current injection through the graphene/SiC interface and to establish the uniformity of the intercalated areas. Scanning transmission electron microscopy (S/TEM) has been employed for atomic resolution imaging and spectros…
The control over the structural homogeneity is of paramount importance for ternary nitride compounds - the second most important semiconducting material-class after Si, due to its unrivalled applicability in optoelectronics, and high power/high frequency electronics. Therefore it is timely to investigate possible mechanisms influencing the crystallographic constitution of the material. In this work the diffusion mechanism of manganese in gallium nitride is investigated in two types of epilayers: Mn implanted metalorganic vapour phase epitaxy grown GaN and (Ga,Mn)N solid solution grown by molec…
Unveiling Nanoscale Surface Damage Dynamics in Swift Heavy Ion Irradiated Gallium Nitride
School of Nuclear Science and Technology, Xi’an Jiaotong University（西安交通大学核科学与技术学院）；Academy of Chips Technology, China Electronics Technology Group Corporation（中国电子科技集团公司芯片技术研究院）；National Key Laboratory of Integrated Circuits and Microsystems（集成电路与微系统国家重点实验室）；National Key Laboratory for High Energy Pulsed Power（高能量脉冲功率国家重点实验室）
Indium gallium nitride films with nanocolumnar microstructure were deposited with varying indium content and substrate temperatures using plasma-enhanced evaporation on amorphous SiO2 substrates. FESEM and XRD results are presented, showing that more crystalline nanocolumnar microstructures can be engineered at lower indium compositions. Nanocolumn diameter and packing factor (void fraction) was found to be highly dependent on substrate temperature, with thinner and more closely packed nanocolumns observed at lower substrate temperatures.
We have evaluated the density of interface trap states (Dit) at the surface of a GaN/AlGaN/GaN heterojunction by the previously described gated van der Pauw experiments, as well as by a UV assisted gated van der Pauw method, described in this article. The obtained Dit values are about two orders of magnitude lower than assumed by the surface-donor theory and three orders of magnitude lower than required to compensate the polarization surface charge in GaN. Previous experimental studies using a variety of other techniques reported similarly low Dit values. We hence conclude that variable midgap…
We carefully investigate three important effects including postgrowth activation annealing, delta (δ) dose and p+-GaN layer thickness and experimentally demonstrate their influence on the electrical properties of GaN p-n homojunction diodes with a tunnel junction (TJ)-based p-contact. The p-n diodes and TJ structures were monolithically grown by metalorganic chemical vapor deposition (MOCVD) in a single growth step. By optimizing the annealing time and temperature for magnesium (Mg) activation and introducing δ-doses for both donors and acceptors at TJ interfaces, a significant improvement in …
The injection of spin polarized electrons from ferromagnetic metals (Fe and Co) into gallium nitride (GaN) via scanning tunneling microscopy (STM) is demonstrated. Electrons from STM tips are injected into the semiconductor. Net circular polarization of the emitted light is observed, which changes sign on reversal of the magnetization of the tip. The polarization is found to be in qualitative agreement with that expected from considerations based on the splitting of the valence bands due to spin-orbit coupling and the crystal field splitting corresponding to the wurtzite structure, and the mag…
Atomistic Mechanisms of Temperature-Dependent Ion Track Formation in Gallium Nitride under Swift Heavy Ion Irradiation
School of Nuclear Science and Technology, Xi’an Jiaotong University（西安交通大学核科学与技术学院）；Academy of Chips Technology, China Electronics Technology Group Corporation（中国电子科技集团公司芯片技术研究院）；National Key Laboratory of Integrated Circuits and Microsystems（集成电路与微系统国家重点实验室）
Electrically generated spin polarization is probed directly in bulk GaN using Kerr rotation spectroscopy. A series of n-type GaN epilayers are grown in the wurtzite phase both by molecular beam epitaxy (MBE) and metalorganic chemical vapor deposition (MOCVD) with a variety of doping densities chosen to broadly modulate the transverse spin lifetime, T2*. The spin polarization is characterized as a function of electrical excitation energy over a range of temperatures. Despite weak spin-orbit interactions in GaN, a current-induced spin polarization (CISP) is observed in the material at temperatur…
Among the wide-bandgap compound semiconductors, gallium nitride is the most widely available material due to its prevalence in the solid state lighting and high-speed/high-power electronics industries. It is now known that GaN is one of only a handful of materials to host color centers that emit quantum light at room temperature. In this paper, we report on a bright color center in a semi-polar gallium nitride substrate, emitting at room temperature in the near-infrared. We show that a hemispherical solid immersion lens, near index matched to the semiconductor, can be used to enhance the photo…
We develop a theory of energy relaxation in semiconductors and insulators highly excited by the long-acting external irradiation. We derive the equation for the non-equilibrium distribution function of excited electrons. The solution for this function breaks up into the sum of two contributions. The low-energy contribution is concentrated in a narrow range near the bottom of the conduction band. It has the typical form of a Fermi distribution with an effective temperature and chemical potential. The effective temperature and chemical potential in this low-energy term are determined by the inte…
Surface bubbling and helium retention of pure aluminum and a solid solution of aluminum-gallium(Ga) alloy exposed to low-energy He plasma has been investigated with the fluence of 1.8E24 He/m2 at room temperature . Surface morphology observations show that after irradiation, the average size of He bubbles on Al-1.8 at.% Ga alloy is around 1.8 micro metre, smaller than that on pure Al. Ga doping noticeably increases the area density of the bubble. The thermal desorption spectroscopyshows that the release amount of He in Al-1.8 at.% Ga alloy is 1.77E21 He/m2, nearly three orders of magnitude hig…
We present x-ray reflectivity measurements from the free surface of a liquid gallium-bismuth alloy (Ga-Bi) in the temperature range close to the bulk monotectic temperature $T_{mono} = 222$C. Our measurements indicate a continuous formation of a thick wetting film at the free surface of the binary system driven by the first order transition in the bulk at the monotectic point. We show that the behavior observed is that of a complete wetting at a tetra point of solid-liquid-liquid-vapor coexistance.
We study the dependence of macroscopic polarization on composition and strain in wurtzite III-V nitride ternary alloys using ab initio density-functional techniques. The spontaneous polarization is characterized by a large bowing, strongly dependent on the alloy microscopic structure. The bowing is due to the different response of the bulk binaries to hydrostatic pressure, and to internal strain effects (bond alternation). Disorder effects are instead minor. Deviations from parabolicity (simple bowing) are of order 10 % in the most extreme case of AlInN alloy, much less at all other compositio…
We report on the deposition of gallium oxide using microwave irradiation technique on III nitride epi layers. We also report on the first demonstration of a gallium oxide device, a visible blind deep UV detector, with GaN based heterostructure as the substrate. The film deposited in the solution medium, at less than 200 C, using a metalorganic precursor, was nanocrystalline. XRD confirms that as deposited film when annealed at high temperature turns polycrystalline beta gallium oxide. SEM shows the as deposited film to be uniform, with a surface roughness of 4 to 5 nm, as revealed by AFM. Inte…
Controlled epitaxy of room-temperature quantum emitters in gallium nitride
School of Engineering, Cardiff University（卡迪夫大学工程学院）；Translational Research Hub（转化研究枢纽）；Department of Materials Science and Metallurgy, University of Cambridge（剑桥大学材料科学与工程系）
Single photon emitters play a central role in many photonic quantum technologies. A promising class of single photon emitters consists of atomic color centers in wide-bandgap crystals, such as diamond silicon carbide and hexagonal boron nitride. However, it is currently not possible to grow these materials as sub-micron thick films on low-refractive index substrates, which is necessary for mature photonic integrated circuit technologies. Hence, there is great interest in identifying quantum emitters in technologically mature semiconductors that are compatible with suitable heteroepitaxies. Her…
The alloy strategy through A- or X-site is a common method for experimental preparation of high-performance and stable lead-based perovskite solar cells. As one of the important candidates for lead-free and stable photovoltaic absorber, the inorganic antiperovskite family has recently been reported to exhibit excellent optoelectronic properties. However, the current reports on the design of antiperovskite alloys are rare. In this work, we investigated the previously overlooked electronic property (e.g., conduction band convergence), static dielectric constant, and exciton binding energy in ino…
The 4d-transition-metals carbides (ZrC, NbC) and nitrides (ZrN, NbN) in the rocksalt structure, as well as their ternary alloys, have been recently studied by means of a first-principles full potential linearized augmented plane waves method within the local density approximation. These materials are important because of their interesting mechanical and physical properties, which make them suitable for many technological applications. Here, by using a simple theoretical model, we estimate the bulk moduli of their ternary alloys Zr$_x$Nb$_{1-x}$C and Zr$_x$Nb$_{1-x}$N in terms of the bulk modul…
We present a thorough theoretical study of ordering phenomena in nitride ternary alloys GaInN, AlInN, and AlGaN. Using the Monte Carlo approach and energetics based on the Keating model we analyze the influence of various factors on ordering in bulk crystals and epitaxial layers. We characterize the degree of both short range order (SRO) and long ranger order (LRO) for different compositions, temperatures and for substrates associated with different epitaxial strain. For the description of the SRO the Warren-Cowley parameters related to the first four coordination shells are used. The LRO is d…
In order to shed light on the second harmonic generation (SHG) of new 2-D systems, first principles methods are used to calculate the second order susceptibility χ(2) for different types of layered alloys such as monolayers of transition metal dichalcogenide (TMD) alloys, TMD Haeckelite alloys, nanotubes of TMD alloys, hexagonal boron nitride (h-BN) systems which include BxNyCz alloys, BN and BNC2 nanotubes, BxNxCy Haeckelites and BN Schwarzites (porous BN). It is found that the tungsten based alloys possess higher χ(2) than Mo based at high photon energies, but at low energies, one type of Mo…
The addition of dilute concentrations of bismuth (Bi) into GaAs to form GaBiAs alloys results in a large reduction of the band gap energy Eg accompanied by a significant increase of the spin-orbit-splitting energy (delta_SO), leading to an Eg < delta_SO regime for ~10% Bi composition which is technologically relevant for the design of highly efficient photonic devices. The quaternary alloy GaBiNAs offers further flexibility for band gap tuning, because both nitrogen and bismuth can independently induce band gap reduction. This work reports sp3s* tight binding and 14-band k.p models for the stu…
Single-photon emitters in gallium nitride (GaN) are gaining interest as attractive quantum systems due to the well-established techniques for growth and nanofabrication of the host material, as well as its remarkable chemical stability and optoelectronic properties. We investigate the nature of such single-photon emitters in GaN with a systematic analysis of various samples produced under different growth conditions. We explore the effect that intrinsic structural defects (dislocations and stacking faults), doping and crystal orientation in GaN have on the formation of quantum emitters. We inv…
Hexagonal boron nitride (h-BN) has attracted significant attention due to its superior properties as well as its potential as an ideal dielectric layer for graphene-based devices. The h-BN films obtained via chemical vapor deposition in earlier reports are always polycrystalline with small grains due to high nucleation density on substrates. Here we report the successful synthesis of large single-crystal h-BN grains on rational designed Cu-Ni alloy foils. It is found that the nucleation density can be greatly reduced to 60 per mm2 by optimizing Ni ratio in substrates. The strategy enables the …
Group-III nitride alloys are currently used in various microwave communication applications because of the giant enhancement in electromechanical coupling after alloying with rocksalt nitrides such as YbN or ScN. Herein, the Yb-substitution induced enhancement for electromechanical coupling in wurtzite III-V nitrides is studied via theoretical calculations and experiments. The substitution induced mechanical softening and local strain can enhance electromechanical coupling. The mechanical softening induced by Yb substitution shows less dependence on the parent AlN or GaN, which is caused by th…
The eutectic Ga-In (EGaIn) alloy has low vapor pressure, low toxicity, high thermal and electrical conductivities, and thus has shown a great potential for smart material applications. For such applications, EGaIn is maintained above its melting point, below which it undergoes solidification and phase separation. A scientific understanding of the structural and compositional evolution during thermal cycling could help further assess the application range of low-melting-point fusible alloys. Here, we use an integrated suite of cryogenically-enabled advanced microscopy & microanalysis to better …
III-nitride alloys are wide band gap semiconductors with a broad range of applications in optoelectronic devices such as light emitting diodes and laser diodes. Indium gallium nitride light emitting diodes have been successfully produced over the past decade. But the progress of green emission light emitting devices has been limited by the incorporation of indium in the alloy, mainly due to phase separation. This difficulty could be addressed by studying the growth and thermodynamics of these alloys. Knowledge of thermodynamic phase stabilities and of pressure - temperature - composition phase…
Defect engineering of ultrathin gallium nitride via electric fields for advanced electronic, magnetic, and gas sensing applications
Nanyang Technological University（南洋理工大学）；Infineon Technologies Asia Pacific Pte. Ltd.（英飞凌亚太私人有限公司）；China-Singapore International Joint Research Institute（中新国际联合研究院）
Time- and Frequency-Resolved Observation of Inverse Orbital Hall Effect in Gallium Nitride via Terahertz Polarimetry
The Institute for Solid State Physics, The University of Tokyo（东京大学固体物理研究所）；Department of Electronic Science and Engineering, Kyoto University（京都大学电子科学与工程系）
Eutectic related reaction is a special chemical/physical reaction involving multiple phases, solid and liquid. Visualization of phase reaction of composite nanomaterials with high spatial and temporal resolution provides a key understanding of alloy growth with important industrial applications. However, it has been a rather challenging task. Here we report the direct imaging and control of the phase reaction dynamics of a single, as-grown free-standing gallium arsenide nanowire encapped with a gold nanoparticle, free from environmental confinement or disturbance, using four-dimensional electr…
The nitride semiconductor materials GaN, AlN, and InN, and their alloys and heterostructures have been investigated extensively in the last 3 decades, leading to several technologically successful photonic and electronic devices. Just over the past few years, a number of new nitride materials have emerged with exciting photonic, electronic, and magnetic properties. Some examples are 2D and layered hBN and the III-V diamond analog cBN, the transition metal nitrides ScN, YN, and their alloys (e.g. ferroelectric ScAlN), piezomagnetic GaMnN, ferrimagnetic Mn4N, and epitaxial superconductor/semicon…
Gilbert Damping Parameters of Epitaxially-Stabilized Iron Gallium Thin Films from Ferromagnetic Resonance
The Ferroelectronics Laboratory, University of Michigan（密歇根大学铁电实验室）；Imec（imec研究所）；Department of Materials Science and Engineering, University of Wisconsin-Madison（威斯康星大学麦迪逊分校材料科学与工程系）
