Re: [Pw_forum] carrier lifetime, diffusion length, mobility (HASSAN AHMOUM)

[Nicola Marzari]

On 18/02/2017 13:22, Abdullah N. Albarakati wrote:
> Dear Eduardo Menendez,
>
> Thank you very much,
>
> so far, I follow your recommendation and I will feedback with my finding,
>
> Best wishes,

It would be best to start from reading 2016 arxiv review on electron-phonon
interactions et al. by Giustino.

It is, though, advanced material - but approximated models are
of limited use.

nicola

-- 
--
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project
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Re: [Pw_forum] carrier lifetime, diffusion length, mobility (HASSAN AHMOUM)

[Abdullah N. Albarakati]

Dear Eduardo Menendez,

Thank you very much,

so far, I follow your recommendation and I will feedback with my finding,

Best wishes,

From: pw_forum-boun...@pwscf.org [pw_forum-boun...@pwscf.org] on behalf of 
Eduardo Menendez [earie...@gmail.com]
Sent: Thursday, February 16, 2017 3:40 PM
To: pw_forum@pwscf.org
Subject: Re: [Pw_forum] carrier lifetime, diffusion length, mobility (HASSAN 
AHMOUM)

Dear all,
The mentioned equations are just for for ZnO, and they use some experimental 
values of the conductivity. However, the method can be replicated for other 
II-VI or III-V compounds. I would not dare to replicate it for a different 
class of material.

Computing directly the carrier lifetime is mainly a matter of eletron-phonon 
interactions and electron-defect interaction, and electron-hole recombination. 
All of them could be done with the help of Quantum ESPRESSO, using auxiliary 
codes, but I do not know any implementation to do it.
I hope someone  hast and cat share it.

Eduardo Menendez-Proupin


-- Mensaje reenviado --
From: HASSAN AHMOUM <h.ahm...@gmail.com<mailto:h.ahm...@gmail.com>>
To: pw_forum@pwscf.org<mailto:pw_forum@pwscf.org>
Cc:
Date: Wed, 15 Feb 2017 16:10:10 +0100
Subject: Re: [Pw_forum] carrier lifetime, diffusion length, mobility
Dear Abdullah

Yes you can calculate  indirectly all this parameter's by using Boltztrap code.

Boltztrap give you as output file ( carrier concentration, conductivity/carrier 
lifetime)

so by using this equation [1] you can calculate carrier lifetime

[1]:K.P.Ong, D.J.Singh, P.Wu, Phys. Rev. B 83 (2011) 115110.

   carrier lifetime=2.53*(10^-5)*(T^-1)*(n^(-1/3))  [1]

were T:temperatur, n: carrier concentration.

and if u want calculate mobility use this equation :

  mobility=conductivity/(charge elementaire*carrier concentration)

i think if you have this parameters you can calculate diffusion length.








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Re: [Pw_forum] carrier lifetime, diffusion length, mobility (HASSAN AHMOUM)

[Eduardo Menendez]

Dear all,
The mentioned equations are just for for ZnO, and they use some
experimental values of the conductivity. However, the method can be
replicated for other II-VI or III-V compounds. I would not dare to
replicate it for a different class of material.

Computing directly the carrier lifetime is mainly a matter of
eletron-phonon interactions and electron-defect interaction, and
electron-hole recombination. All of them could be done with the help of
Quantum ESPRESSO, using auxiliary codes, but I do not know any
implementation to do it.
I hope someone  hast and cat share it.

Eduardo Menendez-Proupin


-- Mensaje reenviado --
From: HASSAN AHMOUM 
To: pw_forum@pwscf.org
Cc:
Date: Wed, 15 Feb 2017 16:10:10 +0100
Subject: Re: [Pw_forum] carrier lifetime, diffusion length, mobility
Dear Abdullah

Yes you can calculate  indirectly all this parameter's by using Boltztrap
code.

Boltztrap give you as output file ( carrier concentration,
conductivity/carrier lifetime)

so by using this equation [1] you can calculate carrier lifetime

[1]:K.P.Ong, D.J.Singh, P.Wu, Phys. Rev. B 83 (2011) 115110.

   carrier lifetime=2.53*(10^-5)*(T^-1)*(n^(-1/3))  [1]

were T:temperatur, n: carrier concentration.

and if u want calculate mobility use this equation :

  mobility=conductivity/(charge elementaire*carrier concentration)

i think if you have this parameters you can calculate diffusion length.
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