GeAs as a novel arsenic dimer source for <i>n</i>-type doping of Ge grown by molecular beam epitaxy

Kawanaka, M.; Iguchi, N.; Fujieda, Shinji; Furukawa, Akira; Baba, Takanobu

doi:10.1063/1.354483

Cited by 7 publications

(4 citation statements)

References 9 publications

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“…Arsenic compounds have been commonly used to modify the mechanical properties of lead and copper alloys, and to eliminate unwanted coloration in glasses. Over the past decade, elemental arsenic has begun to be important for high technology 1–8. Elemental arsenic has been shown to have important effects on the molecular‐beam epitaxial grown of semiconductors, one example being its role in providing a passivation layer and preventing dopant incorporation during the growth of GaAs on Si surfaces.…”

Section: Introductionmentioning

confidence: 99%

The arsenic clusters As_n (n = 1–5) and their anions: Structures, thermochemistry, and electron affinities

Zhao

et al. 2004

J Comput Chem

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The molecular structures, electron affinities, and dissociation energies of the As(n)/As(-) (n) (n = 1-5) species have been examined using six density functional theory (DFT) methods. The basis set used in this work is of double-zeta plus polarization quality with additional diffuse s- and p-type functions, denoted DZP++. These methods have been carefully calibrated (Chem Rev 2002, 102, 231) for the prediction of electron affinities. The geometries are fully optimized with each DFT method independently. Three different types of the neutral-anion energy separations reported in this work are the adiabatic electron affinity (EA(ad)), the vertical electron affinity (EA(vert)), and the vertical detachment energy (VDE). The first dissociation energies D(e)(As(n-1)-As) for the neutral As(n) species, as well as those D(e)(As(-) (n-1)-As) and D(e) (As(n-1)-As(-)) for the anionic As(-) (n) species, have also been reported. The most reliable adiabatic electron affinities, obtained at the DZP++ BLYP level of theory, are 0.90 (As), 0.74 (As(2)), 1.30 (As(3)), 0.49 (As(4)), and 3.03 eV (As(5)), respectively. These EA(ad) values for As, As(2), and As(4) are in good agreement with experiment (average absolute error 0.09 eV), but that for As(3) is a bit smaller than the experimental value (1.45 +/- 0.03 eV). The first dissociation energies for the neutral arsenic clusters predicted by the B3LYP method are 3.93 eV (As(2)), 2.04 eV (As(3)), 3.88 eV (As(4)), and 1.49 eV (As(5)). Compared with the available experimental dissociation energies for the neutral clusters, the theoretical predictions are excellent. Two dissociation limits are possible for the arsenic cluster anions. The atomic arsenic results are 3.91 eV (As(-) (2) --> As(-) + As), 2.46 eV (As(-) (3) --> As(-) (2) + As), 3.14 eV (As(-) (4) --> As(-) (3) + As), and 4.01 eV (As(-) (5) --> As(-) (4) + As). For dissociation to neutral arsenic clusters, the predicted dissociation energies are 2.43 eV (As(-) (3) --> As(2) + As(-)), 3.53 eV (As(-) (4) --> As(3) + As(-)), and 3.67 eV (As(-) (5) --> As(4) + As(-)). For the vibrational frequencies of the As(n) series, the BP86 and B3LYP methods produce good results compared with the limited experiments, so the other predictions with these methods should be reliable.

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Section: Introductionmentioning

confidence: 99%

The arsenic clusters As_n (n = 1–5) and their anions: Structures, thermochemistry, and electron affinities

Zhao

et al. 2004

J Comput Chem

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“…Therefore, it is quite meaningful to study the structural and electronic properties of clusters using theoretical research, identifying their potential capacities for numerous applications. Arsenic has been widely applied in many fields such as semiconductors, optoelectronics, and biopharmaceutics [2,3,4,5,6,7,8,9,10,11]. Besides, vanadium doped phosphorus clusters, and pure and doped arsenic clusters have received a large amount of attention from both experimental and theoretical fields in recent years [12,13,14,15,16,17,18,19,20,21,22,23].…”

Section: Introductionmentioning

confidence: 99%

First-Principles Studies on the Structural and Electronic Properties of As Clusters

et al. 2018

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Based on the genetic algorithm (GA) incorporated with density functional theory (DFT) calculations, the structural and electronic properties of neutral and charged arsenic clusters Asn (n = 2–24) are investigated. The size-dependent physical properties of neutral clusters, such as the binding energy, HOMO-LUMO gap, and second difference of cluster energies, are discussed. The supercluster structures based on the As8 unit and As2 bridge are found to be dominant for the larger cluster Asn (n ≥ 8). Furthermore, the possible geometric structures of As28, As38, and As180 are predicted based on the growth pattern.

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“…In situ Ga-doing of Ge using MBE has received limited attention compared to in situ n-type doping of Ge, which has been extensively applied utilizing solid sources such as GaAs and Sb . Shimura et al reported MBE Ga doping of both Ge and GeSn.…”

Section: Introductionmentioning

confidence: 99%

Fabrication of Ge:Ga Hyperdoped Materials and Devices Using CMOS-Compatible Ga and Ge Hydride Chemistries

Wallace

Ringwala

et al. 2018

ACS Appl. Mater. Interfaces

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We report a versatile chemical vapor deposition (CVD) method to dope Ge films with Ga atoms in situ over a wide concentration range spanning from 3 × 10 18 to 2.7 × 10 20 cm −3 . The method introduces a stable and volatile Ga hydride [D 2 GaN(CH 3 ) 2 ] 2 that reacts readily with Ge 4 H 10 to deliver Ga dopants controllably and systematically at complementary metal-oxide-semiconductor compatible ultralow temperatures of ∼360 °C. Thick and monocrystalline layers (1.3 μm) are produced on Si substrates at growth rates approaching 50 nm/min. The doped crystals are fully epitaxial and devoid of misfit defects and Ga precipitates as evidenced by Rutherford backscattering spectrometry, X-ray diffraction, and cross-sectional transmission electron microscopy. The Ga contents measured by secondary ion mass spectrometry and the active carrier concentrations determined by spectroscopic ellipsometry (as well as Hall effect measurements in several cases) are in close agreement, indicating near full activation. Photoluminescence spectra show a strong emission peak at 0.79 eV corresponding to the direct gap E 0 transition, evidence of the indirect transition, and additional structures characteristic of ptype Ge. Electroluminescence and I−V curves measured from p(Ga)−i−n photodiodes are found to be at par with those from boron-based reference devices. These results are promising and demonstrate that a single-source CVD approach allows independent control of Ga doping level and junction depth, producing flat dopant profiles, high activation ratios, uniform distributions, and sharp interfaces. This method potentially represents a viable alternative to state-of-the-art boron-based p-type doping and activation of Ge-like materials.

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GeAs as a novel arsenic dimer source for n-type doping of Ge grown by molecular beam epitaxy

Cited by 7 publications

References 9 publications

The arsenic clusters As_n (n = 1–5) and their anions: Structures, thermochemistry, and electron affinities

The arsenic clusters As_n (n = 1–5) and their anions: Structures, thermochemistry, and electron affinities

First-Principles Studies on the Structural and Electronic Properties of As Clusters

Fabrication of Ge:Ga Hyperdoped Materials and Devices Using CMOS-Compatible Ga and Ge Hydride Chemistries

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GeAs as a novel arsenic dimer source for n-type doping of Ge grown by molecular beam epitaxy

Cited by 7 publications

References 9 publications

The arsenic clusters Asn (n = 1–5) and their anions: Structures, thermochemistry, and electron affinities

The arsenic clusters Asn (n = 1–5) and their anions: Structures, thermochemistry, and electron affinities

First-Principles Studies on the Structural and Electronic Properties of As Clusters

Fabrication of Ge:Ga Hyperdoped Materials and Devices Using CMOS-Compatible Ga and Ge Hydride Chemistries

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The arsenic clusters As_n (n = 1–5) and their anions: Structures, thermochemistry, and electron affinities

The arsenic clusters As_n (n = 1–5) and their anions: Structures, thermochemistry, and electron affinities