From 861731e2bf402489d8aeb0097af0d7d6a2da468f Mon Sep 17 00:00:00 2001 From: "Kieran B. Spooner" Date: Mon, 24 Jul 2023 10:53:01 +0100 Subject: [PATCH] fix references --- paper.md | 2 +- ref.bib | 69 ++++++++++++++++++++++++++++++++++++++++++++++---------- 2 files changed, 58 insertions(+), 13 deletions(-) diff --git a/paper.md b/paper.md index 6c53e1a..66a48e8 100644 --- a/paper.md +++ b/paper.md @@ -114,6 +114,6 @@ There are no conflicts to declare. KBS, DWD and DOS acknowledge support from the European Research Council (grant 758345). This work made use of the ARCHER2 UK National Supercomputing Service via the Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202), and resources made available via the UK Materials and Molecular Modelling Hub, which is partially funded by EPSRC (EP/P020194/1). -We would like to acknowledge contributions of ideas and time from Bonan Zhu, Seán R. Kavanagh, Warda Rahim, Katarina Brlec, Joe Willis, Luisa Herring--Rodriguez and Sabrine Hachmioune. +We would like to acknowledge contributions of ideas and time from Katarina Brlec, Bonan Zhu, Seán R. Kavanagh, Warda Rahim, Joe Willis, Luisa Herring--Rodriguez and Sabrine Hachmioune. # References \ No newline at end of file diff --git a/ref.bib b/ref.bib index 461ecdc..b0a605a 100644 --- a/ref.bib +++ b/ref.bib @@ -120,18 +120,6 @@ @Article{Ong2013 publisher = {Elsevier {BV}}, } -@Article{Ganose2020, - author = {Alex M. Ganose and Junsoo Park and Alireza Faghaninia and Rachel Woods-Robinson and Kristin A. Persson and Anubhav Jain}, - title = {Efficient calculation of carrier scattering rates from first principles}, - abstract = {The electronic transport behaviour of materials determines their suitability for technological applications. We develop an efficient method for calculating carrier scattering rates of solid-state semiconductors and insulators from first principles inputs. The present method extends existing polar and non-polar electron-phonon coupling, ionized impurity, and piezoelectric scattering mechanisms formulated for isotropic band structures to support highly anisotropic materials. We test the formalism by calculating the electronic transport properties of 16 semiconductors and comparing the results against experimental measurements. The present work is amenable for use in high-throughput computational workflows and enables accurate screening of carrier mobilities, lifetimes, and thermoelectric power.}, - date = {2020-08-22}, - eprint = {2008.09734}, - eprintclass = {cond-mat.mtrl-sci}, - eprinttype = {arXiv}, - file = {:http\://arxiv.org/pdf/2008.09734v1:PDF}, - keywords = {cond-mat.mtrl-sci, physics.comp-ph}, -} - @Article{Madsen2006, author = {Madsen, Georg K H and Singh, David J}, journal = {Comput. Phys. Commun.}, @@ -257,4 +245,61 @@ @Article{Graziosi2023 publisher = {Elsevier}, } +@Article{Ganose2021, + author = {Alex M. Ganose and Junsoo Park and Alireza Faghaninia and Rachel Woods-Robinson and Kristin A. Persson and Anubhav Jain}, + journal = {Nat. Commun.}, + title = {Efficient Calculation of Carrier Scattering Rates from First Principles}, + year = {2021}, + month = {apr}, + number = {1}, + pages = {2222}, + volume = {12}, + doi = {10.1038/s41467-021-22440-5}, + publisher = {Springer Science and Business Media {LLC}}, +} + +@Article{Eriksson2019, + author = {Eriksson, Fredrik and Fransson, Erik and Erhart, Paul}, + journal = {Adv. Theory Simul.}, + title = {The Hiphive Package for the Extraction of High-Order Force Constants by Machine Learning}, + year = {2019}, + number = {5}, + pages = {1800184}, + volume = {2}, + publisher = {Wiley Online Library}, +} + +@Article{Brlec2022, + author = {Brlec, Katarina and Spooner, Kieran B and Skelton, Jonathan M and Scanlon, David O}, + journal = {J. Mater. Chem.A}, + title = {Y$_{2}$Ti$_{2}$O$_{5}$S$_{2}$ --- a Promising n-Type Oxysulphide for Thermoelectric Applications}, + year = {2022}, + number = {32}, + pages = {16813}, + volume = {10}, + publisher = {Royal Society of Chemistry}, +} + +@Article{Spooner2021, + author = {Spooner, Kieran B and Ganose, Alex M and Leung, WW Winnie and Buckeridge, John and Williamson, Benjamin AD and Palgrave, Robert G and Scanlon, David O}, + journal = {Chem. Mater.}, + title = {BaBi$_{2}$O$_{6}$: A Promising $n$-Type Thermoelectric Oxide with the PbSb$_{2}$O$_{6}$ Crystal Structure}, + year = {2021}, + number = {18}, + pages = {7441--7456}, + volume = {33}, + publisher = {ACS Publications}, +} + +@Article{Kavanagh2021, + author = {Kavanagh, Se{\'a}n R and Savory, Christopher N and Scanlon, David O and Walsh, Aron}, + journal = {Mater. Horiz.}, + title = {Hidden Spontaneous Polarisation in the Chalcohalide Photovoltaic Absorber Sn$_{2}$SbS$_{2}$I$_{3}$}, + year = {2021}, + number = {10}, + pages = {2709}, + volume = {8}, + publisher = {Royal Society of Chemistry}, +} + @Comment{jabref-meta: databaseType:bibtex;}