From fcdbf8f6ced6335f2ec2f5ad27c068cd20c61710 Mon Sep 17 00:00:00 2001
From: johannes wasmer <johannes.wasmer@gmail.com>
Date: Mon, 8 Jul 2024 08:38:58 +0100
Subject: [PATCH] update bibliography
---
bib/bibliography.bib | 15 +++++++++++++++
1 file changed, 15 insertions(+)
diff --git a/bib/bibliography.bib b/bib/bibliography.bib
index b258e27..ac81d74 100644
--- a/bib/bibliography.bib
+++ b/bib/bibliography.bib
@@ -12563,6 +12563,21 @@ Subject\_term\_id: computational-chemistry;density-functional-theory;method-deve
file = {/Users/wasmer/Nextcloud/Zotero/Mozumder_2022_Design of magnetic interactions in doped topological insulators.pdf}
}
+@online{mozumderHighthroughputMagneticCodoping2024,
+ title = {High-Throughput Magnetic Co-Doping and Design of Exchange Interactions in a Topological Insulator},
+ author = {Mozumder, Rubel and Wasmer, Johannes and Silva, David Antognini and Blügel, Stefan and Rüßmann, Philipp},
+ date = {2024-07-05},
+ eprint = {2407.04413},
+ eprinttype = {arXiv},
+ eprintclass = {cond-mat},
+ url = {http://arxiv.org/abs/2407.04413},
+ urldate = {2024-07-08},
+ abstract = {Using high-throughput automation of ab-initio impurity embedding simulations, we created a database of \$3d\$ and \$4d\$ transition metal defects embedded into the prototypical topological insulator (TI) Bi\$\_2\$Te\$\_3\$. We simulate both single impurities as well as impurity dimers at different impurity-impurity distances inside the TI. We extract changes to magnetic moments, analyze the polarizability of non-magnetic impurity atoms via nearby magnetic impurity atoms and calculate the exchange coupling constants for a Heisenberg Hamiltonian. We uncover chemical trends in the exchange coupling constants and discuss the impurities' potential with respect to magnetic order in the fields of quantum anomalous Hall insulators and topological quantum computing. In particular, we predict that co-doping of different magnetic dopants is a viable strategy to engineer the magnetic ground state in magnetic TIs.},
+ pubstate = {prepublished},
+ keywords = {/unread,AiiDA,aiida-kkr,Bi2Te3,co-doping,database generation,dataset,defects,exchange interaction,FZJ,Heisenberg model,impurity embedding,Jij,JuDFT,juKKR,KKR,Liechtenstein formula,magnetic topological materials,magnetism,Materials Cloud,PGI,PGI-1/IAS-1,physics,point defects,topological,topological insulator,with-data},
+ file = {/Users/wasmer/Nextcloud/Zotero/Mozumder et al_2024_High-throughput magnetic co-doping and design of exchange interactions in a.pdf;/Users/wasmer/Zotero/storage/GXLBFXQF/2407.html}
+}
+
@online{muckleyInterpretableModelsExtrapolation2022,
title = {Interpretable Models for Extrapolation in Scientific Machine Learning},
author = {Muckley, Eric S. and Saal, James E. and Meredig, Bryce and Roper, Christopher S. and Martin, John H.},
--
GitLab