Prospects for high carrier mobility in the cubic germanates

Rowberg, Andrew J. E.; Krishnaswamy, Karthik; Walle, Chris G. Van de

doi:10.1088/1361-6641/ab97f6

Cited by 6 publications

(4 citation statements)

References 52 publications

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“…The calculated band values for SrGeO3 (~0 eV for the GGA calculations, and 0.789 eV for the LDA calculations) are smaller than the reported value of 2.84 eV in Ref. [39], but it should be emphasized that the authors of Ref. [39] used the hybrid DFT method, which improves agreement with the experimental band gap values.…”

Section: Electronic Propertiescontrasting

confidence: 45%

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2021

AnnalsARSciPhysChem

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The structural, electronic, elastic and thermodynamic properties of two cubic perovskites -SrGeO3 and SrZrO3were calculated using the first-principles methods for the pressure range from 0 to 25 GPa. Comparison of the calculated results with other literature data (whether available) yielded good agreement. Dependencies of all calculated propertiessuch as lattice constants, relative change of the unit cell volume, elastic constants and Debye temperatureon pressure were obtained, which enables reliable estimations of all these parameters for any value of hydrostatic pressure in the studied range.

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Section: Electronic Propertiescontrasting

confidence: 45%

“…[39], but it should be emphasized that the authors of Ref. [39] used the hybrid DFT method, which improves agreement with the experimental band gap values. The lowest states in the conduction band are highly dispersive, whereas the states from the valence band top are nearly flat, at least in the vicinity of the R and G points.…”

Section: Electronic Propertiesmentioning

confidence: 70%

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2021

AnnalsARSciPhysChem

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Section: Electronic Propertiescontrasting

confidence: 45%

Section: Electronic Propertiesmentioning

confidence: 70%

FIRST-PRINCIPLES CALCULATIONS OF THE STRUCTURAL, ELECTRONIC AND ELASTIC PROPERTIES OF SrGeO3 AND SrZrO3 CUBIC PEROVSKITES.

Brik¹,

Avram²,

Avram³

2021

AnnalsARSciPhysChem

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The structural, electronic, elastic and thermodynamic properties of two cubic perovskites – SrGeO3 and SrZrO3 – were calculated using the first-principles methods for the pressure range from 0 to 25 GPa. Comparison of the calculated results with other literature data (whether available) yielded good agreement. Dependencies of all calculated properties – such as lattice constants, relative change of the unit cell volume, elastic constants and Debye temperature – on pressure were obtained, which enables reliable estimations of all these parameters for any value of hydrostatic pressure in the studied range.

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Hybrid molecular beam epitaxy of germanium-based oxides

et al. 2022

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Germanium-based oxides such as rutile GeO2 are garnering attention owing to their wide band gaps and the prospects of ambipolar doping for application in high-power devices. Here, we present the use of germanium tetraisopropoxide (GTIP), a metal-organic chemical precursor, as a source of germanium for the demonstration of hybrid molecular beam epitaxy for germanium-containing compounds. We use Sn1-xGexO2 and SrSn1-xGexO3 as model systems to demonstrate our synthesis method. A combination of high-resolution X-ray diffraction, scanning transmission electron microscopy, and X-ray photoelectron spectroscopy confirms the successful growth of epitaxial rutile Sn1-xGexO2 on TiO2(001) substrates up to x = 0.54 and coherent perovskite SrSn1-xGexO3 on GdScO3(110) substrates up to x = 0.16. Characterization and first-principles calculations corroborate that germanium occupies the tin site, as opposed to the strontium site. These findings confirm the viability of the GTIP precursor for the growth of germanium-containing oxides by hybrid molecular beam epitaxy, thus providing a promising route to high-quality perovskite germanate films.

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Prospects for high carrier mobility in the cubic germanates

Cited by 6 publications

References 52 publications

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FIRST-PRINCIPLES CALCULATIONS OF THE STRUCTURAL, ELECTRONIC AND ELASTIC PROPERTIES OF SrGeO3 AND SrZrO3 CUBIC PEROVSKITES.

Hybrid molecular beam epitaxy of germanium-based oxides

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