Initial stages of the epitaxial growth of MnN on the GaAs (001)-(2 × 2) surface: First-principle study

Ponce‐Pérez, R.; Cruz, María Teresa Romero de la; Gutiérrez-Ojeda, S.J.; Guerrero-Sánchez, J.; Varalda, J.; Cocoletzi, Gregorio H.

doi:10.1016/j.apsusc.2019.06.047

Cited by 10 publications

(4 citation statements)

References 46 publications

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“…22 In the present work, Bi 2 Te 2.7 Se 0.3 -based composites dispersed with GaAs nanoparticles were designed and fabricated. GaAs is an important III−V semiconductor compound that has a direct band gap of E g = 1.43 eV and high electron mobility of ∼8500 cm 2 /V s. 23 Intuitively, the mismatch of its band gap with that (E g = 0.13 eV) of Bi 2 Te 2.7 Se 0.3 would lead to the formation of an appropriate interface barrier at phase boundaries in the GaAs/Bi 2 Te 2.7 Se 0.3 (GaAs/BTS) composite system, which may give rise to enhanced thermopower due to energy dependent carrier scattering (EDCS). Moreover, the high carrier mobility of GaAs could be beneficial to the total carrier mobility of the composite system.…”

Section: Introductionmentioning

confidence: 99%

Ultralow Thermal Conductivity and High Thermoelectric Performance of N-type Bi₂Te_2.7Se_0.3-Based Composites Incorporated with GaAs Nanoinclusions

Zhang

Ming

et al. 2020

ACS Appl. Mater. Interfaces

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Bi 2 Te 2.7 Se 0.3 (BTS) is known to be the unique ntype commercial thermoelectric (TE) alloy used at room temperatures, but its figure of merit (ZT) is relatively low, and it is vital to improve its ZT for its wide applications. Here, we show that incorporation of an appropriate amount of GaAs nanoparticles in BTS not only causes the large enhancement of Seebeck coefficients because of energy-dependent carrier scattering, but also gives rise to drastic reduction of lattice thermal conductivity κ L . Specifically, ultralow κ L ∼ 0.27W m −1 K −1 (at 300 K) is achieved for the composite sample incorporated with a 0.3 wt % GaAs nanophase, which is proved to originate mainly from the intensified phonon scattering by the GaAs nanoinclusions and interfaces between the GaAs and BTS matrix. As a result, a maximum ZT = 1.19 (∼372 K) and an average ZT ave = 1.01 (at T = 300−550 K) are reached in the composite sample with 0.3 wt % GaAs nanoinclusions, which are respectively ∼78% and ∼82% larger than those of the BTS matrix in this study, demonstrating that incorporation of the GaAs nanophase is an effective way to improve TE performance of BTS.

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Section: Introductionmentioning

confidence: 99%

Ultralow Thermal Conductivity and High Thermoelectric Performance of N-type Bi₂Te_2.7Se_0.3-Based Composites Incorporated with GaAs Nanoinclusions

Zhang

Ming

et al. 2020

ACS Appl. Mater. Interfaces

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“…Figure 1 describes the non-reconstructed GaN (001)-(2 × 2) surface and the high symmetry sites in the current study. For (001) zb-like surfaces, the high symmetry sites are defined as top, hcp, fcc, and hcp1 [44]. e top site is obtained when a Ge/C monolayer (ML) is placed on top of the first Ga-ML.…”

Section: Adsorption and Incorporation Of The Ge And C Monolayermentioning

confidence: 99%

“…is phenomenon has been previously studied for different surfaces [44][45][46][47] since this configuration stimulates the bilayer growth in some cases.…”

Section: Adsorption and Incorporation Of The Ge And C Monolayermentioning

confidence: 99%

Zinc-Blende GeC Stabilized on GaN (001): An Ab Initio Study

Camacho-García

Ruiz-Peralta

Hernández-Cocoletzi

et al. 2022

Advances in Condensed Matter Physics

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First-principle calculations have been performed to explore the initial stages of the zinc blende-like germanium carbide epitaxial growth on the gallium nitride (001)-(2 × 2) surface. First, we studied the Ge/C monolayer adsorption and incorporation at high symmetry sites. Results show that the adsorptions at the top and hcp1 sites are the most stable structures of C and Ge, respectively. Different terminated surfaces were used on the GeC epitaxial growth. According to the surface formation energies, only the first two bilayers are stable; therefore, the GeC epitaxial growth is favorable only under N-rich conditions on a Ge-terminated surface and with Ge bilayers terminated. In addition, it is demonstrated that GeC bilayers on the C-terminated surfaces are unstable and preclude the epitaxial growth. Electronic properties have been investigated by calculating the density of states (DOS) and the projected density of states (PDOS) of the most favorable structures.

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“…25 Furthermore, several theoretical studies focused on the growth of nanostructures by the adsorption of adatoms on the surface of bulk GaAs crystal. [26][27][28][29] Very recently, Gutierrez-Ojeda et al, reported the adsorption characteristics and formation of monolayer/bilayers of Mn and Ge adatoms on GaAs (111) surface. 28 The study also concluded that the termination of GaAs surface with Mn atoms leads to an interface with antiferromagnetic distribution.…”

Section: Introductionmentioning

confidence: 99%

Interaction of Ge with single layer GaAs: From Ge-island nucleation to formation of novel stable monolayers

Sozen

Eren

Ozen

et al. 2020

Applied Surface Science

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Initial stages of the epitaxial growth of MnN on the GaAs (001)-(2 × 2) surface: First-principle study

Cited by 10 publications

References 46 publications

Ultralow Thermal Conductivity and High Thermoelectric Performance of N-type Bi₂Te_2.7Se_0.3-Based Composites Incorporated with GaAs Nanoinclusions

Ultralow Thermal Conductivity and High Thermoelectric Performance of N-type Bi₂Te_2.7Se_0.3-Based Composites Incorporated with GaAs Nanoinclusions

Zinc-Blende GeC Stabilized on GaN (001): An Ab Initio Study

Interaction of Ge with single layer GaAs: From Ge-island nucleation to formation of novel stable monolayers

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Initial stages of the epitaxial growth of MnN on the GaAs (001)-(2 × 2) surface: First-principle study

Cited by 10 publications

References 46 publications

Ultralow Thermal Conductivity and High Thermoelectric Performance of N-type Bi2Te2.7Se0.3-Based Composites Incorporated with GaAs Nanoinclusions

Ultralow Thermal Conductivity and High Thermoelectric Performance of N-type Bi2Te2.7Se0.3-Based Composites Incorporated with GaAs Nanoinclusions

Zinc-Blende GeC Stabilized on GaN (001): An Ab Initio Study

Interaction of Ge with single layer GaAs: From Ge-island nucleation to formation of novel stable monolayers

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Product

Resources

About

Initial stages of the epitaxial growth of MnN on the GaAs (001)-(2 × 2) surface: First-principle study

Ultralow Thermal Conductivity and High Thermoelectric Performance of N-type Bi₂Te_2.7Se_0.3-Based Composites Incorporated with GaAs Nanoinclusions

Ultralow Thermal Conductivity and High Thermoelectric Performance of N-type Bi₂Te_2.7Se_0.3-Based Composites Incorporated with GaAs Nanoinclusions