[Pw_forum] carrier lifetime, diffusion length, mobility
Dear Experts, Is it possible to calculate carrier lifetime, diffusion length, and mobility using QE? I f so, can any one give me a general idea Thank you in advance. Abdullah, Umm Al-Qura unsiversity, Saudi Arabia This email and any files transmitted with it are confidential and intended solely for the use of the individual or entity to whom they are addressed. If you have received this email in error please notify Email System Administrator (e_ad...@uqu.edu.sa ) . Please note that any views or opinions presented in this email are solely those of the author and do not necessarily represent those of the Umm Al-Qura University. Finally, the recipient should check this email and any attachments for the presence of viruses. The Information Technology and Technical Support Center of Umm Al-Qura University accepts no liability for any damage caused by any virus transmitted by this email. ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
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. *--- Hassan AHMOUMEquipe Physique de la Matière Condensée et Modélisation des sysèmes. (EPMCMS).Laboratoire Physique des Matériaux et Modélisation des Systèmes (LP2MS).Université Moulay Ismail- Faculté des Sciences de Meknès.BP 11201, Zitoune Meknès-MarocTel. +212 603-73-05-96* ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
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 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. ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Re: [Pw_forum] carrier lifetime, diffusion length, mobility (HASSAN AHMOUM)
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 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. This email and any files transmitted with it are confidential and intended solely for the use of the individual or entity to whom they are addressed. If you have received this email in error please notify Email System Administrator (e_ad...@uqu.edu.sa ) . Please note that any views or opinions presented in this email are solely those of the author and do not necessarily represent those of the Umm Al-Qura University. Finally, the recipient should check this email and any attachments for the presence of viruses. The Information Technology and Technical Support Center of Umm Al-Qura University accepts no liability for any damage caused by any virus transmitted by this email. ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Re: [Pw_forum] carrier lifetime, diffusion length, mobility (HASSAN AHMOUM)
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 ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum