Carrier mobilities and electron-phonon interactions beyond DFT

Aleksandr Poliukhin; Nicola Colonna; Francesco Libbi; Samuel Poncé; Nicola Marzari

doi:10.3389/fchem.2019.00377

Paper details

Research paper

TheoreticalComputational DFTComputational Multiscale

Carrier mobilities and electron-phonon interactions beyond DFT

Aleksandr Poliukhin, Nicola Colonna, Francesco Libbi, Samuel Poncé et al.

arXiv·2025·10.3389/fchem.2019.00377·arXiv:2508.14852

Samples

Each sample groups how it was prepared, characterized, and measured. Click a card to expand.

Bulk silicon systems used to verify the projectability condition and to compute electron-phonon couplings and carrier transport properties with beyond-DFT electronic-structure methods.

No measurements recorded

Simulated Supercell DftSiStudied Material

Bulk gallium arsenide systems used as a transport benchmark for beyond-DFT electron-phonon coupling calculations.

No measurements recorded

Simulated Supercell DftGaAsStudied Material

Materials

Silicon

Studied Material

Also known as

studied material

Gallium arsenide

GaAs

Studied Material

Also known as

Why these are connected

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Carrier mobilities and electron-phonon interactions beyond DFT | Matter42 Literature

Carrier mobilities and electron-phonon interactions beyond DFT

Samples

Bulk silicon systems used to verify the projectability condition and to compute electron-phonon couplings and carrier transport properties with beyond-DFT electronic-structure methods.

Bulk gallium arsenide systems used as a transport benchmark for beyond-DFT electron-phonon coupling calculations.

Materials

Why these are connected

Carrier mobilities and electron-phonon interactions beyond DFT

Samples

Bulk silicon systems used to verify the projectability condition and to compute electron-phonon couplings and carrier transport properties with beyond-DFT electronic-structure methods.

Bulk gallium arsenide systems used as a transport benchmark for beyond-DFT electron-phonon coupling calculations.

Materials

Why these are connected

Carrier mobilities and electron-phonon interactions beyond DFT

Samples

Bulk silicon systems used to verify the projectability condition and to compute electron-phonon couplings and carrier transport properties with beyond-DFT electronic-structure methods.

Bulk gallium arsenide systems used as a transport benchmark for beyond-DFT electron-phonon coupling calculations.

Materials

Why these are connected

Carrier mobilities and electron-phonon interactions beyond DFT

Samples

Bulk silicon systems used to verify the projectability condition and to compute electron-phonon couplings and carrier transport properties with beyond-DFT electronic-structure methods.

Bulk gallium arsenide systems used as a transport benchmark for beyond-DFT electron-phonon coupling calculations.

Materials

Why these are connected

Carrier mobilities and electron-phonon interactions beyond DFT

Samples

Bulk silicon systems used to verify the projectability condition and to compute electron-phonon couplings and carrier transport properties with beyond-DFT electronic-structure methods.

Bulk gallium arsenide systems used as a transport benchmark for beyond-DFT electron-phonon coupling calculations.

Materials

Why these are connected

Carrier mobilities and electron-phonon interactions beyond DFT

Samples

Bulk silicon systems used to verify the projectability condition and to compute electron-phonon couplings and carrier transport properties with beyond-DFT electronic-structure methods.

Bulk gallium arsenide systems used as a transport benchmark for beyond-DFT electron-phonon coupling calculations.

Materials

Why these are connected

Carrier mobilities and electron-phonon interactions beyond DFT

Samples

Bulk silicon systems used to verify the projectability condition and to compute electron-phonon couplings and carrier transport properties with beyond-DFT electronic-structure methods.

Bulk gallium arsenide systems used as a transport benchmark for beyond-DFT electron-phonon coupling calculations.

Materials

Why these are connected

Carrier mobilities and electron-phonon interactions beyond DFT

Samples

Bulk silicon systems used to verify the projectability condition and to compute electron-phonon couplings and carrier transport properties with beyond-DFT electronic-structure methods.

Bulk gallium arsenide systems used as a transport benchmark for beyond-DFT electron-phonon coupling calculations.

Materials

Why these are connected

Simulations

Simulations

Simulations

Simulations