AMMCR: Ab initio model for mobility and conductivity calculation by

Title
AMMCR: Ab initio model for mobility and conductivity calculation by
Authors
이승철최정혜Anup Kumar MandiaBhaskaran MuralidharanSatadeep Bhattacharjee
Issue Date
2021-01
Publisher
Computer physics communications
Citation
VOL 259, 107697
Abstract
We present a module to calculate the mobility and conductivity of semiconducting materials using Rode’s algorithm. This module uses a variety of electronic structure inputs derived from the Density Functional Theory (DFT). We have demonstrated good agreement with experimental results for the case of Cadmium Sulfide (CdS). We also provide a comparison with the widely used method, the so-called relaxation time approximation (RTA) and demonstrated a favorable improvement of the results compared to RTA. The present version of the module is interfaced with the Vienna ab initio simulation package (VASP).
URI
http://pubs.kist.re.kr/handle/201004/72197
ISSN
0010-4655
Appears in Collections:
KIST Publication > Article
Files in This Item:
There are no files associated with this item.
Export
RIS (EndNote)
XLS (Excel)
XML


qrcode

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

BROWSE