Lattice Mismatch Research Articles

Comparison of GeSn alloy films prepared by ion implantation and remote plasma-enhanced chemical vapor deposition methods

Thin films of germanium-tin (GeSn) alloy with Sn content well above its equilibrium solubility limit in Ge are produced using both remote plasma-enhanced chemical vapor deposition (RPECVD) directly on silicon substrates and ion implantation of Sn into Ge. For RPECVD, the growth temperature of 302 °C resulted in fully relaxed GeSn alloys with high defect density, principally threading dislocations related to the large lattice mismatch between Si and GeSn. For the implantation case, pulsed laser melting was used to melt and crystallize the GeSn layer on a time scale of a few tens of nanoseconds. The resulting GeSn layers were also relaxed and defective, presumably again as a result of lattice mismatch with the underlying Ge lattice. However, the nature of the defects was quite different to the RPECVD method, whereby the line defects were not threading dislocations but stackinglike defects, which developed into arrays of these defects in the high Sn content region close to the surface. For the purpose of comparing RPECVD and ion-implantation methods, alloy films of similar thickness (400–450 nm) and Sn content (4.5–6.5 at. %) were examined. Film parameters (thickness, Sn content, Sn solubility, and segregation), as well as film quality and defect structures, were examined for both fabrication methods using several analytical techniques. This comparison provided us with a better physical understanding of our GeSn films and will help inform future growth/fabrication strategies targeted at minimizing defects formed in the GeSn films for the realization of optoelectronic devices.

Heterogeneous nucleation interface between NbN(111) and TiN(111) in high-nitrogen austenitic stainless steels: First-principles calculation

Heterogeneous nucleation of NbN induced by TiN inclusions is important to play the role of precipitation strengthening in high-nitrogen austenitic stainless steels. In this work, the atomic structure, interfacial stability, and interfacial fracture toughness of TiN(111)/NbN(111) are investigated based on first-principles calculation. Furthermore, the interfacial bond structure and energy of TiN(111)/NbN(111) are also analyzed with and without Cr doping on the basis of Thermo-Calc phase diagrams. The results indicate that the lattice mismatch between the crystal face of TiN(111) and NbN(111) is lower than 5 %, which reveals that TiN can act as the heterogeneous nucleus for NbN to grow. Besides, the maximum adhesion work at 4.58 J/m2 and the minimum interfacial energy at 1.28 J/m2 are presented on the stacking site of N-Ti TL, which suggests that (Ti, Nb) N phases can precipitate through this interfacial bonding mode. Moreover, from the view of bonding properties on the interface with and without Cr doping, it can be found Cr doping in two layers of the interface can enhance interface stability except for N-Ti TL (2Cr). This work will give promising guidance and theoretical basis for the controllable preparation of high-nitrogen austenitic stainless steels with in-situ precipitated nitride particles.

Morphology Control of Au-Ni Hybrid Nanoparticles: Exploring Heterostructures and Optical Tuning.

Hybrid nanoparticles (NPs) have attracted considerable attention because of their ability to provide diverse properties by integrating the inherent properties of multiple components; however, synthetic strategies to control their morphology remain unexplored. In this study, a new method was used to control the morphology and optical properties of Au-Ni heterostructure (ANH) NPs. Unique morphological changes were observed by varying the Au/Ni precursor ratio from 2:1 to 1:4, exhibiting a shape transformation from dumbbell-like to quasi-spherical owing to the Ni NP size expansion, whereas the Au NP maintained their size. Moreover, increasing the Ni ratio induced plasmonic band broadening and wavelength redshift, resulting in color changes from red to navy and black. In terms of the structure, the atomic orientation of the crystallite showed that even a large lattice mismatch can result in heterojunctions at the NPs. In addition, the reaction aliquots uncovered heterogeneous nucleation and growth of ANH NPs in the colloidal system, demonstrating Ni reduction on the preformed Au NP owing to the reduction in potential gap. This study provides new insights into controlling the morphology of hybrid NPs using colloidal synthesis and the design of optimized materials for various applications.

Change in Growth Mode of BGaN Layers Grown on GaN

A change in the growth mode from Stranski–Krastanov one, which is characteristic of MOCVD grown GaN, to the laterally grown BGaN in the Volmer–Weber growth mode is described. This change in growth is evidenced by scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images of BGaN grown on GaN at high temperatures. It is postulated on the basis of SIMS and XRD results that this change in growth is initiated by the transfer of boron atoms from gallium substitutional to interstitial. The proposed mechanism for the observed growth change is related to the generation of nitrogen interstitials and subsequent reactions with boron interstitials, which result in the formation of a BN layer at the growth front. The observed large change in the growth mode is due to a lattice mismatch between the grown BGaN and the atomic layer of BN and stays behind the change to the Volmer–Weber growth mode. The consequence of the Volmer–Weber growth mode is the textural layer of BGaN. The textural character of this material is associated with large voids between grown BGaN “plates”. These large voids are responsible for the termination of threading dislocations propagating in the c-direction. It is also postulated that the blocked threading dislocations from the GaN underlayer and laterally grown BGaN layers along the a-directions are responsible for the decrease in defect concentration within these layers.

Interfacial structures and properties of sulfide-Fe matrix in steel: A first principles study

Fine sulfides can promote the refinement of microstructure and improve the strength and toughness of materials. The interface properties between sulfides and steel matrix are associated with this phenomenon. The first principles calculation combined with two-dimensional lattice mismatch and two-step nucleation theory is adopted to calculate the interface properties of TiS/bcc-Fe, TiS/fcc-Fe and TiS/MnS at the atomic level. The results show that TiS has a weak ability to promote the transition of austenite to intragranular ferrite (IGF) due to the low adhesion work value. And TiS needs to overcome energy barriers to induce the formation of IGF because the higher interface energy of TiS/bcc-Fe than TiS/fcc-Fe. The heterogeneous nucleation ability of TiS(001)/MnS(111) is stronger than that of TiS(001)/MnS(110), indicating that TiS is beneficial for improving the deformation performance of MnS without affecting the ability of MnS (110) surface to induce IGF nucleation for grain refinement. Based on the two-step nucleation theory, the structures and properties of TiS clusters are analyzed. The formation pathway of TiS/Fe interface can be described as: Tiatom + Satom + Featom → core (TiSn)–shell (fcc-Fe(111)) → core (TiS(001))–shell (fcc-Fe(110) + bcc-Fe(100)).

Epitaxial growth of GaInAsBi thin films on Si (001) substrate using pulsed laser deposition

The results of a comprehensive study of growing a Ga1-yInyAs1-xBix quaternary alloy on a Si (001) substrate, determining the composition, studying structural properties, relaxation mechanisms and surface morphology are presented. Using pulsed laser deposition, epitaxial growth of the Ga1-yInyAs1-xBix thin film was carried out on the Si (001) substrate. Using X-ray diffraction, it was established that the Ga1-yInyAs1-xBix film was grown with a large lattice mismatch (Δa/a = 7.838 %). It is shown that the film has a well-pronounced texture in the [001] growth direction, a lattice parameter of 5.856 Å. Using Medium Energy Ion Scattering, a decrease in the In concentration after a layer thickness ≈15 nm from 0.5 to 0.4 mol frac. was detected. An important result is the homogeneous distribution of Bi throughout the layer thickness. Structural studies allow for the conclusion that stress relaxation occurred because of shears by means of a nucleation of dislocations and a slip close-packed {111} planes, as well as twinning, which led to a change in composition after a thickness of ≈15 nm from the substrate and an increase in the surface roughness of the layer.

Strain and piezoelectric control of electronic and photonic properties of p − n diodes

Piezoelectricity is a well-known effect in a vast number of technologically important insulators and semiconductors and exists in 20 out of the 32 three-dimensional crystal classes. The piezoelectric effect is the driving mechanism behind several classical sensors and transmitters, and also most recently, in many nanodevices. Zhong Lin Wang coined the fields piezotronics and piezo-phototronics where the piezoelectric effect plays a dominant role. Piezoelectricity couples in a linear fashion mechanical strain to electrical fields and vice versa. In solids, there is another linear coupling between strain and the electric potential, known as the deformation potential effect. While linear in its coupling nature, this effect does not require the solid to be non-centrosymmetric in contrast to the piezoelectric effect. Moreover, the deformation potential effect is quantitatively huge and leads to changes in the conduction and valence band edges of III–V and II–VI materials of, typically, 50–100 meV in the presence of 1 % strain. Therefore, the deformation potential effect is essential to determine the electronic and photonic properties of bulk and nanostructure semiconductors in the presence of strain. In this work, we compute the relative importance of piezoelectricity and the deformation potential effect in the presence of lattice mismatch and external strain. We choose p − n junctions of ZnO/GaN structures but anticipate that the general conclusions can be carried over to other material structures. The main result of the present work is that both the inclusion of the deformation potential effect and piezoelectricity is crucial to correctly compute the effect of strain on p − n junction current–voltage curves and photonic properties. In our analysis of wurtzite heterostructures, the spontaneous polarization effect is also included but this effect appears to play a minor role for electronic and photonic properties.

Quasi-Homoepitaxial Growth of Highly Strained Alkali-Metal Ultrathin Films on Kagome Superconductors.

Applying lattice strain to thin films, a critical factor to tailor their properties such as stabilizing a structural phase unstable at ambient pressure, generally necessitates heteroepitaxial growth to control the lattice mismatch with substrate. Therefore, while homoepitaxy, the growth of thin film on a substrate made of the same material, is a useful method to fabricate high-quality thin films, its application to studying strain-induced structural phases is limited. Contrary to this general belief, here the quasi-homoepitaxial growth of Cs and Rb thin films is reported with substantial in-plane compressive strain. This is achieved by utilizing the alkali-metal layer existing in bulk crystal of kagome metals AV3Sb5 (A=Cs and Rb) as a structural template. The angle-resolved photoemission spectroscopy measurements reveal the formation of metallic quantum well states and notable thickness-dependent quasiparticle lifetime. Comparison with density functional theory calculations suggests that the obtained thin films crystalize in the face-centered cubic structure, which is typically stable only under high pressure in bulk crystals. These findings provide a useful approach for synthesizing highly strained thin films by quasi-homoepitaxy, and pave the way for investigating many-body interactions in Fermi liquids with tunable dimensionality.

Low-Polarization, Broad-Spectrum Semiconductor Optical Amplifiers.

Polarization-insensitive semiconductor optical amplifiers (SOAs) in all-optical networks can improve the signal-light quality and transmission rate. Herein, to reduce the gain sensitivity to polarization, a multi-quantum-well SOA in the 1550 nm band is designed, simulated, and developed. The active region mainly comprises the quaternary compound InGaAlAs, as differences in the potential barriers and wells of the components cause lattice mismatch. Consequently, a strained quantum well is generated, providing the SOA with gain insensitivity to the polarization state of light. In simulations, the SOA with ridge widths of 4 µm, 5 µm, and 6 µm is investigated. A 3 dB gain bandwidth of >140 nm is achieved with a 4 µm ridge width, whereas a 6 µm ridge width provides more output power and gain. The saturated output power is 150 mW (21.76 dB gain) at an input power of 0 dBm but increases to 233 mW (13.67 dB gain) at an input power of 10 dBm. The polarization sensitivity is <3 dBm at -20 dBm. This design, which achieves low polarization sensitivity, a wide gain bandwidth, and high gain, will be applicable in a wide range of fields following further optimization.

Solar blind avalanche photodetector based on a n-β-Ga2O3/n-Si heterojunction via an introduction of AlN buffer layer for interface lattice and band Engineering

The ultrawide-band gap semiconductor Ga2O3 as a photodetector heteroepitaxially grown on Si is expected to be widely used for weak solar-blind signal detections because the optical filters typically used in Si-based UV detectors can be avoided. Photodetectors fabricated from Ga2O3/Si are promising for multi-color detection (Ga2O3-based for UV and Si-based for visible/IR) and are more compatible with traditional Si-based electronic circuits. This paper proposes an n-type semiconductor-barrier-n-type semiconductor (n/B/n) with a unipolar barrier β-Ga2O3/AlN/n-Si heterostructure as a solar-blind avalanche photodetector. Introducing the AlN buffer layer eliminates the native amorphous SiOx layer, reduces lattice mismatch between β-Ga2O3 and Si, and improves the quality of β-Ga2O3 crystallization. Embedding AlN increases the conduction band shift of β-Ga2O3/Si, limits electron migration, reduces device dark current, and increases the reverse breakdown voltage. The β-Ga2O3/AlN (150 nm)/n-Si heterostructure has a high responsivity of 131.3 A/W with a detectivity of 2.9 × 1015 Jones, and an ultrahigh UV/visible (Rpeak/R400nm) rejection ratio of 5.2 × 105 at −55 V. The avalanche gain can also reach 2.7 × 104 at an 85 V reverse bias. This work provides an effective strategy for constructing a high-performance avalanche solar-blind-UV/visible/IR as a multi-color photodetector on one “chip” of a Si-based integrated circuit.

Solar-blind UV detector with fast response speed and an ultrahigh detectivity based on SrTiO3 (111) substrate grown β-Ga2O3 thin film

Wide band gap semiconductor β-Ga2O3 thin film is widely used in photodetectors. Along the β-Ga2O3 [102] direction, the lattice mismatch between (2‾ 01) β-Ga2O3 and (111) SrTiO3 (STO) is approximately 2.4 %. STO can be used as a substrate for heterostructure fabrication. Here, taking advantage of the symmetry and interatomic super-cellular matching between β-Ga2O3 and the STO substrate, β-Ga2O3 epitaxial films were cultivated on STO (111) substrates via an LPCVD technique. Photoconductive solar blind ultraviolet (UV) detectors have been fabricated based on cultivated Ga2O3 thin films, and the intrinsic linkage of the detector performance with temperature variation has been analyzed in detail. The composition, surface morphology and electrical properties of the films were characterized. The optimized device showed a response rate of 66.64 A/W. The fast rise time (τr1/τr2) and decay time (τd1/τd2) at 20 V bias were 0.15 s/0.18 s and 0.20 s/0.25 s, respectively, with the detectivity of 4.1x1012 Jones.

Improving Epitaxial Growth of γ‐Al2O3 Films via Sc2O3/Y2O3 Oxide Buffers

Heteroepitaxial growth of γ‐Al2O3 on Sc2O3/Y2O3/Si (111) is achieved with oxygen plasma‐assisted molecular beam epitaxy in order to prevent polycrystalline grain boundary formation caused by lattice mismatch. Substrate temperature as well as oxygen flow are adjusted to optimize epitaxial growth conditions around 715–760 °C and 1.9 sccm, respectively. Epitaxial growth is monitored in situ by reflection high‐energy diffraction, while surface morphology is studied by scanning electron microscopy ex‐situ. X‐ray diffraction indicates epitaxial out‐of‐plane 111 orientation with oxygen flow above 0.6 sccm. However, transmission electron microscopy shows stacking fault formation for high oxygen flows. Finally, nanobeam electron diffraction confirms Smrčok model of a spinel‐like γ‐Al2O3 crystal structure.

Heterophase Intermetallic Compounds for Electrocatalytic Hydrogen Production at Industrial-Scale Current Densities.

Heterophase nanomaterials have sparked significant research interest in catalysis due to their distinctive properties arising from synergistic effects of different components and the formed phase boundary. However, challenges persist in the controlled synthesis of heterophase intermetallic compounds (IMCs), primarily due to the lattice mismatch of distinct crystal phases and the difficulty in achieving precise control of the phase transitions. Herein, orthorhombic/cubic Ru2Ge3/RuGe IMCs with engineered boundary architecture are synthesized and anchored on the reduced graphene oxide. The Ru2Ge3/RuGe IMCs exhibit excellent hydrogen evolution reaction (HER) performance with a high current density of 1000 mA cm-2 at a low overpotential of 135 mV. The presence of phase boundaries enhances charge transfer and improves the kinetics of water dissociation while optimizing the processes of hydrogen adsorption/desorption, thus boosting the HER performance. Moreover, an anion exchange membrane electrolyzer is constructed using Ru2Ge3/RuGe as the cathode electrocatalyst, which achieves a current density of 1000 mA cm-2 at a low voltage of 1.73 V, and the activity remains virtually undiminished over 500 h.

Moiré superlattices arising from growth induced by screw dislocations in layered materials

Abstract Moiré superlattices (MSLs) are modulated structures produced from homogeneous or heterogeneous two-dimensional layers stacked with a twist angle and/or lattice mismatch. Enriching the methods for fabricating MSL and realizing the unique emergent properties are key challenges on its investigation. Here we recommend that the spiral dislocation driven growth is another optional method for the preparation of high quality MSL samples. The spiral structure stabilizes the constant out-of-plane lattice distance, causing the variations in electronic and optical properties. Taking SnS2 MSL as an example, we find prominent properties including large band gap reduction (~0.4 eV) and enhanced optical activity. First-principles calculations reveal that these unusual properties can be ascribed to the locally enhanced interlayer interaction associated with the Moiré potential modulation. We believe that the spiral dislocation driven growth would be a powerful method to expand the MSL family and broaden their scope of application.

Assessment of the potential structure and nucleation efficacy of multi-component heterogeneous substrate

In recent years, nucleation of multi-component heterogeneous interface structures has attracted increasing attention due to their excellent grain refinement and anti-poisoning capabilities in Al-Si alloy. In this research, a general methodology was proposed to predict the surface structure and meanwhile evaluate the grain refinement efficacy of the multi-component boride nucleants based on a comprehensive experimental and theoretical study of a novel Al-Si alloy refiner, i.e., Al-3.5 Nb-1 V-1B. By using high-resolution electron microscopy, the (Nb, V)B2 particle with a characteristic “core-shell” surface structure was observed, attributed to V adsorption driven by interfacial energy minimization, validated by ab initio calculations. A general interfacial energy-based model was then proposed which predicts the multi-component boride substrate structure, well consistent with the experimental findings. The nucleation potency of different substrates was analyzed in atomic scale and only if the interfacial atomic vibration was considered together with the nucleation-influencing factors (i.e., the lattice mismatch and the anti Si-poisoning effect), the predicted nucleation potency order can agree well with the experimental results. A thermodynamics-kinetics combined analytic model was summarized by coupling the lattice mismatch parameter, the interfacial Si adsorption energy and the interfacial atomic vibration amplitude, which accurately evaluates the multi-component boride grain refiners for the Al-Si alloys.

Van der Waals Epitaxial Growth of Ultrathin Indium Antimonide on Arbitrary Substrates through Low-Thermal Budget.

III-V semiconductors possess high mobility, high frequency response, and detection sensitivity, making them potentially attractive for beyond-silicon electronics applications. However, the traditional heteroepitaxy of III-V semiconductors is impeded by a significant lattice mismatch and the necessity for extreme vacuum and high temperature conditions, thereby impeding their in situ compatibility with flexible substrates and silicon-based circuits. In this study, a novel approach is presented for fabricating ultrathin InSb single-crystal nanosheets on arbitrary substrates with a thickness as thin as 2.4nm using low-thermal-budget van der Waals (vdW) epitaxy through chemical vapor deposition (CVD). In particular, in situ growth has been successfully achieved on both silicon-based substrates and flexible polyimide (PI) substrates. Notably, the growth temperature required for InSb nanosheets (240°C) is significantly lower than that employed in back-end-of-line processes (400°C). The field effect transistor devices based on fabricated ultrathin InSb nanosheets exhibit ultra-high on-off ratio exceeding 108 and demonstrate minimal gate leakage currents. Furthermore, these ultrathin InSb nanosheets display p-type characteristics with hole mobilities reaching up to 203 cm2 V-1 s-1 at room temperatures. This study paves the way for achieving heterogeneous integration of III-V semiconductors and facilitating their application in flexible electronics.

High gain NiO/ZnO heterojunction photodiodes operated in Deep-ultraviolet region

Epitaxially matched (0001) Al2O3 single substrates are utilized to design p-n heterojunctions (p-NiO/n-ZnO) as they offer low defect density for device fabrication due to small lattice mismatches. Using the radio frequency sputtering technique, the NiO/ZnO thin film-based heterojunction has been fabricated by varying the n-type film's (ZnO) thickness for ultra-violet (UV) photodiode application. It has been investigated how different ZnO film thicknesses affect junction parameters and photoresponse properties. The high photosensitivity (∼ 104), enhanced current gain (∼ 105) and fast response obtained at very low UV intensity (0.62μW/cm2) at 300 nm wavelength are attributed to the internal gain mechanism (recombination tunnelling and space-charge limited current conduction with the remarkable effect of the presence of excess free oxygen) in these devices. The prepared heterojunction photodiode with high speed and deep-UV sensitivity can be a potential solution for visible blind UV detection.

ScN/GaN(11̅00): A New Platform for the Epitaxy of Twin-Free Metal-Semiconductor Heterostructures.

We study the molecular beam epitaxy of rock-salt ScN on the wurtzite GaN(11̅00) surface. To this end, ScN is grown on freestanding GaN(11̅00) substrates and self-assembled GaN nanowires exhibiting (11̅00) sidewalls. On both substrates, ScN crystallizes twin-free thanks to a specific epitaxial relationship, namely ScN(110)[001]∥GaN(11̅00)[0001], providing a congruent, low-symmetry interface. The 13.1% uniaxial lattice mismatch occurring in this orientation mostly relaxes within the first few monolayers of growth by forming a near-coincidence site lattice, where 7 GaN planes coincide with 8 ScN planes, leaving the ScN surface nearly free of extended defects. Overgrowth of the ScN with GaN leads to a kinetic stabilization of the zinc blende phase, that rapidly develops wurtzite inclusions nucleating on {111} nanofacets, commonly observed during zinc blende GaN growth. Our ScN/GaN(11̅00) platform opens a new route for the epitaxy of twin-free metal-semiconductor heterostructures including closely lattice-matched GaN, ScN, HfN, and ZrN compounds.

Fabrication of penetrating pores in epitaxial Ge-on-Si through preferential etching along threading dislocations

Epitaxial Ge-on-Si possesses a high density of threading dislocations (TDs) due to the lattice mismatch and difference in thermal expansion coefficient. By employing the lattice distortion at the TDs, we demonstrate that penetrating pores along TDs can be formed in both p- and n-type heteroepitaxial Ge layers through a preferential etching. It has been found that the preferential etching at TD sites takes place in the porosification process of Ge-on-Si samples and is independent of the doping type and concentration. The penetrating pores follow the path of the TD lines and can penetrate the entire Ge layer of 1.3 μm to further porosificate the Si substrate. The effects of anodic current density and total etching duration have been thoroughly investigated on forming penetrating pores at TD sites. The dissolution mechanism in the porosification process has been revealed by dissolution valence calculation and recorded potential curves. Our findings shed light on Ge perforation in both p- and n-type Ge-on-Si and show great potential in Si-based integrated photonics and microelectronics.

Study on the metallurgical mechanisms of inclusions in the FGH4096 alloy during electron beam smelting

In this study, the metallurgical mechanisms of inclusions during electron beam smelting (EBS) of a FGH4096 powder superalloy was investigated. The macroscopic morphology of the ingots, as well as the composition and structure of inclusions were studied. The effect of electron beam smelting parameters on the cooling rate, O/N content, number density and size of inclusions have been revealed. Besides, the mechanisms for inclusions removal and formation were elucidated. The results show that inclusions in the final solidification zone are mainly oxides (simple tetragonal CrO2, hexagonal Al2O3, and face-centered cube TiN), whereas the complex inclusions and carbon nitrides with Al2O3 and TiN as the nucleation cores are mainly present in the matrix. With the increase in smelting power and time, both the cooling rate and O/N content decsrease, and the smelting power shows a greater impact on the cooling rate. The number density of total inclusions increases with the increase in the smelting power. As the smelting time increases, the number density of total inclusions decreases, while the size of complex inclusions and carbon nitrides increases. This is attributed to the combined effect of cooling rate and O/N concentration in the alloy under different smelting parameters. Thermodynamic calculations indicate that Al2O3 forms in the solid-liquid phase region. The precipitation of TiN occurs when the alloy solidifies, and its precipitation temperature is higher than that of TiC. The lattice mismatch between Al2O3 and TiN is 8.14%, while that between TiC and TiN is 6.94%, which effectively promotes the heterogeneous nucleation of complex inclusions and carbon nitrides. The formation mechanisms of complex inclusions and carbon nitrides provide a theoretical basis for purification of superalloys by electron beam metallurgy.