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[Hitoshi Takane](https://orcid.org/0000-0001-8866-145X), [Takayoshi Oshima](https://orcid.org/0000-0001-8550-9735), [Takayuki Harada](https://orcid.org/0000-0002-8657-2258), [Kentaro Kaneko](https://orcid.org/0000-0001-6626-7611), [Katsuhisa Tanaka](https://orcid.org/0000-0002-1409-2802)

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[Rutile-type GexSn1−xO2 alloy layers lattice-matched to TiO2 substrates for device applications](https://mdr.nims.go.jp/datasets/249d0a80-85a3-4c34-8527-427149128fd6)

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Rutile-type GexSn1−xO2 alloy layers lattice-matched to TiO2 substrates for device applicationsRutile-type GexSn1−xO2 alloy layers lattice-matched to TiO2 substrates for deviceapplicationsHitoshi Takane1* , Takayoshi Oshima2* , Takayuki Harada3 , Kentaro Kaneko4 , and Katsuhisa Tanaka11Department of Material Chemistry, Kyoto University, Kyoto 615-8510, Japan2Research Center for Electronic and Optical Materials, National Institute for Materials Science, Tsukuba, Ibaraki 305-0044, Japan3Research Center for Materials Nanoarchitechtonics, National Institute for Materials Science, Tsukuba, Ibaraki 305-0044, Japan4Research Organization of Science and Technology, Ritsumeikan University, Kusatsu, Shiga 525-8577, Japan*E-mail: takane.hitoshi.33v@st.kyoto-u.ac.jp; OSHIMA.Takayoshi@nims.go.jpReceived November 15, 2023; revised December 10, 2023; accepted December 13, 2023; published online January 3, 2024We report the characterization and application of mist-CVD-grown rutile-structured GexSn1−xO2 (x = ∼0.53) films lattice-matched to isostructuralTiO2(001) substrates. The grown surface was flat throughout the growth owing to the lattice-matching epitaxy. Additionally, the film was single-crystalline without misoriented domains and TEM-detectable threading dislocations due to the coherent heterointerface. Using the Ge0.49Sn0.51O2film with a carrier density of 7.8 × 1018 cm−3 and a mobility of 24 cm2V−1s−1, lateral Schottky barrier diodes were fabricated with Pt anodes andTi/Au cathodes. The diodes exhibited rectifying properties with a rectification ratio of 8.2 × 104 at ±5 V, showing the potential of GexSn1-xO2 as apractical semiconductor. © 2024 The Author(s). Published on behalf of The Japan Society of Applied Physics by IOP Publishing LtdRutile-type (r-) metal oxides, such as r-GeO2, r-SnO2,r-TiO2, and their alloys, have recently emerged as anew class of wide-band-gap semiconductors, due totheir favorable electrical properties.1,2) Very recently, r-GeO2has attracted attention as a novel semiconductor havingsuperior physical properties, including the widest directbandgap (Eg) of 4.68 eV,3) theoretically-predicted ambipolardopability,4,5) estimated electron/hole mobilities as high as244–377/27–29 cm2 V−1 s−1,6,7) and n-/p-type Baliga figureof merits of 270–350/27–30 × 108 V2 Ω−1 cm−2 surpassingthose of SiC and GaN.1) However, the epitaxial growth ofr-GeO2 remains challenging due to the severe volatility ofGeOx at high temperatures,1,8–10) hindering its device appli-cations to date. On the other hand, r-SnO2 and r-TiO2 havealso become important components within the rutile oxideframework, though they have been well-known conventionaln-type oxide semiconductors and often applied for trans-parent conductive films11,12) and thin-film transistors13,14) sofar. r-SnO2 has the second widest Eg of 3.6 eV15) among therutile-type oxide semiconductors and has recently beenregarded as an end member of the r-GexSn1−xO2 alloy.2)Also, r-TiO2 with a narrower Eg of 3.0 eV16) is usually usedas a substrate for rutile-type oxide films because of theavailability of bulk single crystal. Bulk single crystals ofr-GeO2 and r-SnO2 can be also synthesized by flux and vaportransport methods,5,17–21) but substrates with sufficient areaand quality for systematic epitaxy experiments have not beenprepared yet. Previously, successful growth of r-GexSn1−xO2alloy on r-TiO2 has been reported, as some research groupsincluding ours have achieved epitaxial stabilization of single-crystalline r-GexSn1−xO2 alloy films up to x = 0.96 on r-TiO2substrates, enabling us to control the Eg within the range of3.8 and 4.4 eV.2,22,23)For device applications of r-GexSn1−xO2 alloy films,improving the crystalline quality of the films is necessary.Though it is feasible to grow the alloy films, a significantnumber of dislocations were observed in the films with x = 0and 0.96, because of the large lattice mismatches with the TiO2substrate.2,24–26) These dislocations degrade the electricalproperties of the films as they act as scattering/trap centersand leakage paths, leading to an increase in on-resistance andpremature breakdown. Therefore, the dislocation density mustbe minimized for potential power-device applications. Onesolution to this issue is epitaxial lateral overgrowth (ELO),which is a proven method in the field of GaNheteroepitaxy.27,28) In our previous study, we conductedselective-area growth of r-SnO2 on a SiO2-masked r-TiO2substrate and verified the creation of dislocation-free areas inthe lateral overgrown regions.29) These findings indicate thepotential to produce alloy films with reduced dislocationdensities through ELO. However, achieving ELO films withhigh in-plane uniformity would require significant effort. Theother solution is lattice-matching epitaxy, which is a funda-mental strategy in the heteroepitaxial growth of semiconductoralloy systems.30,31) The lattice constants of r-TiO2(a = 4.594Å, c = 2.959Å)32) fall between those of r-GeO2(a = 4.398Å, c = 2.863Å)32) and r-SnO2 (a = 4.738Å, c =3.187Å),32) making this method applicable for r-GexSn1−xO2epitaxy on TiO2 substrates as well. According to the calcula-tion based on density functional theory, to satisfy the latticematching condition, x for a and c axis should be ∼0.53 and∼0.79, respectively.2) When it comes to (001) orientationsubstrates, the in-plane lattice lengths are determined solely bythe a axis, thus x should be∼0.53. We first demonstrated near-lattice-matching epitaxy of r-Ge0.66Sn0.34O2 on an r-TiO2(001) substrate and observed a significant reduction indislocations through TEM analysis.2) Later, Liu et al., reportedlattice-matching epitaxy of r-Ge0.54Sn0.46O2 on r-TiO2 (001)substrate, confirming coherent growth, however, comprehen-sive structural characterizations were not provided.33)In this study, we considered that lattice-matching epitaxy wasthe preferable method over ELO at the moment, to obtain high-quality alloy films suitable for device applications. We thereforeconducted lattice-matching epitaxy of the r-GexSn1−xO2 alloyfilms on r-TiO2 (001) substrates, and thoroughly analyzed theresulting coherent films. Additionally, we successfully demon-strated the device operation of Schottky barrier diodes (SBDs)fabricated on the film.Content from this work may be used under the terms of the Creative Commons Attribution 4.0 license. Any further distribution of thiswork must maintain attribution to the author(s) and the title of the work, journal citation and DOI.011008-1© 2024 The Author(s). Published on behalf ofThe Japan Society of Applied Physics by IOP Publishing LtdApplied Physics Express 17, 011008 (2024) LETTERhttps://doi.org/10.35848/1882-0786/ad15f3https://crossmark.crossref.org/dialog/?doi=10.35848/1882-0786/ad15f3&domain=pdf&date_stamp=2024-01-03https://orcid.org/0000-0001-8866-145Xhttps://orcid.org/0000-0001-8866-145Xhttps://orcid.org/0000-0001-8550-9735https://orcid.org/0000-0001-8550-9735https://orcid.org/0000-0002-8657-2258https://orcid.org/0000-0002-8657-2258https://orcid.org/0000-0001-6626-7611https://orcid.org/0000-0001-6626-7611https://orcid.org/0000-0002-1409-2802https://orcid.org/0000-0002-1409-2802mailto:takane.hitoshi.33v@st.kyoto-u.ac.jpmailto:OSHIMA.Takayoshi@nims.go.jphttps://creativecommons.org/licenses/by/4.0/https://doi.org/10.35848/1882-0786/ad15f3For a series of analyses, five r-GexSn1−xO2 films weregrown on semi-insulating r-TiO2 (001) substrates (10 × 10mm2) by using a hot-wall-type mist CVD method, which is avalidated oxide growth method to produce device-qualityfilms.34) Bis[2-carboxyethylgermanium (IV)] sesquioxide(C6H12Ge2O7) and tin (II) chloride dihydrate (SnCl2·2H2O)were used as Ge and Sn precursors, respectively. They weredissolved in pure water with a small amount of hydrochloricacid to prepare a mixed aqueous solution, in which the molarconcentrations of Ge and Sn were 0.50 and 0.25mol l−1,respectively. The precursor solution was atomized by ultra-sonic transducers at 2.4MHz. The generated mist particleswere carried into an introduction line and accelerated by O2gas flows at 3.0 and 0.5 l min−1, respectively, to the surface ofthe substrate heated at 725 °C in a quartz tube. The grownfilms were characterized as follows. The x was determined viaenergy dispersive X-ray spectroscopy (EDS), for which acomposition standard was used for calibration. Surface mor-phology was evaluated utilizing scanning electron microscopy(SEM) with an acceleration voltage of 5 kV and atomic forcemicroscopy (AFM) operating in a contact mode. The epitaxialstructure was examined by X-ray diffraction (XRD) measure-ments using CuKα1 radiation. The thickness was determinedby analyzing Laue fringes observed in the θ–2θ scan of theXRD measurement, or a spectrum obtained by ellipsometry.Cross-sectional lattice structures were observed by TEM andscanning TEM (STEM) with an acceleration voltage of200 kV. Electrical properties, such as carrier density andmobility, were investigated by Hall measurement. To fabricateSBDs, Pt (100 nm) and Ti/Au (75/75 nm) electrodes weredeposited onto the film through electron beam evaporation toform anodes and cathodes, respectively. SBDs were character-ized using a standard parameter analyzer.First, we identified the growth mode of the lattice-matchedr-GexSn1−xO2 films on r-TiO2 substrates by observing theevolution of surface morphology. Four r-GexSn1−xO2 films(x = 0.49–0.56) were grown for varied times, with the othergrowth conditions remaining the same. The thicknesses ofthe grown films were 48, 107, 178, and 478 nm according tothe growth times. The composition variation in the films maybe attributed to the slight difference in actual growthtemperature, which strongly depends on the stability ofatomization, because of the high vaporization heat of themist precursors. Optimizing the operating conditions of thenebulizers for stable mist generation could minimize thecomposition variation. The SEM observation revealed thatthe surfaces of all the films were flat and featureless. TheAFM observation also confirmed that the RMS roughness ofall the films were within the range of 0.2−0.8 nm withoutthickness dependence. These results imply that the filmmaintained its surface flatness during the entire growthstages, at least up to 478 nm. This growth behavior can beexplained by the Frank–van der Merwe mode, where a 2Dheteroepitaxial film grows by complete wetting on thesubstrate with negligibly small lattice mismatches, and isconsistent with our lattice-matching epitaxy. The resultdiffers from the growth behavior of r-SnO2 on r-TiO2, whichis dominated by the Volmer–Weber mode,29,35) where a 3Dfilm grows from the initial stage by strong dewetting on thesubstrate with large lattice mismatches.The structural properties of the 48 nm-thick lattice-matched film were investigated in detail. Figure 1(a) showsFig. 1. (a) Surface AFM image of the 48-nm r-Ge0.55Sn0.45O2 film on r-TiO2 (001) substrate. XRD (b) symmetric θ-2θ scan and (c) skew-symmetric f scanpatterns and (d) a RSM of the same sample.011008-2© 2024 The Author(s). Published on behalf ofThe Japan Society of Applied Physics by IOP Publishing LtdAppl. Phys. Express 17, 011008 (2024) H. Takane et al.the AFM image of the surface of the 48-nm r-Ge0.55Sn0.45O2film on r-TiO2 (001). The surface morphology was flat withthe RMS roughness of 0.66 nm, which is sufficiently smoothfor devices that need abrupt interfaces. Figure 1(b) presentsthe symmetric XRD θ–2θ scan pattern of the same sample.Only the 002 diffraction peaks of the film and substrateappeared. The peak of the film had Laue fringes, indicatingits high crystallinity and flatness. It should be noted that noother peaks derived from secondary phase and misorienteddomains were detected in the measured 2θ range of 15–95°(not shown). Figure 1(c) shows skew-symmetric XRD f scanpatterns of the film and substrate. The 301 diffraction peaksof the film appeared at the same angles as the substrate at 90°intervals, reflecting a fourfold in-plane rotational symmetryof the (001)-oriented rutile-type structure. Considering thesesymmetric and skew-symmetric scanning results, the filmgrew with a tetragonal-on-tetragonal epitaxial relationship tothe substrate. In addition, the full width at half maximumvalues of the ω-rocking curves (ω-FWHMs) of the symmetric002 and skew-symmetric 301 peaks were 194 and 133 arcsecfor the film, and 28 and 35 arcsec for the substrate,respectively. Note that the ω-FWHMs of the 002 and 301peaks decreased as the film thickness increased (e.g. theywere 104 and 90 arcsec, respectively, for the 478-nm film).Figure 1(d) is the XRD reciprocal space map (RSM) taken inthe vicinity of the 112 diffraction spots. The spot peak of thefilm was on the same Q[110] line as the substrate, meaningthat they shared the same in-plane lattice constant across acoherent heterointerface as a result of lattice-matchingepitaxy.Next, cross-sectional TEM observations were performedfor the same sample to thoroughly examine the microstruc-ture in the vicinity of the heterointerface. Figure 2(a) displaysthe selected-area electron diffraction (SAED) pattern of theinterface. The diffraction spots of the film were close to oroverlapped with the substrate spots, reconfirming that thefilm was single-crystalline without secondary or misorienteddomains. Furthermore, the spots of the film had the same in-plane positions as the corresponding substrate spots. Thisindicates that the lattice of the film was fully constrained tothe substrate, which is consistent with the XRD RSM result.Figure 2(b) shows the high-resolution TEM (HR-TEM)image at the interface. The film exhibited uniform imagecontrast throughout the entire region. The maximum differ-ence in the film thickness was about 4 nm, which agrees withthe height scale of the AFM image (3.4 nm) as shown inFig. 1(a). No threading dislocation was found, even in otherobservable cross sections of the film in the same specimen(not depicted). This implies that dislocation-free areas of thefilm were sufficiently large to avoid detection by TEM. Etchpitting of a large surface area of the film may reveal thepresence of dislocations, which we will research in the future.Figure 2(c) shows the high-angle annular dark-field STEM(HAADF-STEM) image of the interface. In this image,heavier atoms (Ge/Sn and Ti) were visible as white dots,whereas lighter O atoms were not visible. The arrangement ofthe Ge/Sn and Ti metal atoms was consistent with that of therutile-type structure viewed along the same direction (see theschematic unit cell superimposed on the image). At theheterointerface, the darker Ti sublattice transitioned abruptlyto the lighter Ge/Sn sublattice with perfect lattice matching.Moreover, the lattice was continuous with no misalignmenteven to the surface (not shown). The coherent alloy filmachieved through lattice-matching epitaxy is expected to haveexcellent electrical properties, making it highly desirable foruse in device applications.Finally, lateral SBDs were demonstrated using a high-quality r-GexSn1−xO2 alloy film. For this purpose, a 110-nm-thick r-Ge0.49Sn0.51O2 film was prepared on a semi-insulatingr-TiO2 substrate. Although the alloy composition (x = 0.49)slightly deviated from the target one (x = ∼0.53), the filmstill maintained structural coherence, which was confirmedby XRD RSM (not shown). The unintentionally-doped filmhad good electrical properties with a carrier density (n) ofFig. 2. (a) SAED pattern, cross-sectional (b) HR-TEM and (c) HAADF-STEM images near the interface of the 48-nm r-Ge0.55Sn0.45O2 film onr-TiO2 viewed along the [ ] zone axis. In (c), the unit cell of the rutile-typestructure, where red circles represent metal atoms, is shown to understand Geand Sn atomic positions.011008-3© 2024 The Author(s). Published on behalf ofThe Japan Society of Applied Physics by IOP Publishing LtdAppl. Phys. Express 17, 011008 (2024) H. Takane et al.7.8 × 1018 cm−3 and a mobility (μ) of 24 cm2 V−1 s−1,respectively. By forming Ti/Au cathodes and Pt anodes onthe front surface, lateral SBDs were fabricated as illustratedin Fig. 3(a). The Ti/Au cathodes acted properly as ohmiccontacts, as confirmed by current density (J)-voltage (V )curves with linear dependencies (not shown). Meanwhile, theJ-V curve of the SBD displayed a clear rectifying propertywith a rectification ratio of 8.2 × 104 at ±5 V, as shown inFig. 3(b), indicating that the Pt anode behaved as a Schottkycontact. In addition, the on-resistance was as high as60 mΩ cm2 and the breakdown voltage, at which J reached10−4 A cm–2, was as low as −2.5 V. These poor devicecharacteristics are probably attributed to the lateral deviceconfiguration and high n. They need to be improved byusing doping-controlled films with lower n on conductiveNb-doped TiO2 substrates, which is our future work.In conclusion, our study sought to explore the potential ofthe r-GexSn1−xO2 alloy semiconductor. To achieve this, weutilized the lattice-matching strategy to attain single-crystal-line coherent films with flat surfaces and no TEM-detectabledislocations on isostructural r-TiO2 substrates. The quality ofthe films is high enough to fabricate SBDs with highrectification ratios. We anticipate that this first devicedemonstration encourages more researchers to enter the fieldof r-GexSn1−xO2 alloy.Acknowledgments This work was funded, in part, by the Nippon SheetGlass Foundation for Materials Science and JSPS KAKENHI Grant No.21H01811. 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