TY  - JOUR

T1  - Development of data-driven spd tight-binding models of Fe—parameterisation based on QSGW and DFT calculations including information about higher-order elastic constants

JO  - Modelling and Simulation in Materials Science and Engineering

UR  - https://doi.org/10.1088/1361-651x/ac2b31

PY  - 2021/10/20

AU  - Barzdajn B

AU  - Garrett AM

AU  - Whiting TM

AU  - Race CP

ED  - 

DO  - DOI: 10.1088/1361-651x/ac2b31

PB  - IOP Publishing

VL  - 29

IS  - 8

SP  - 085006

EP  - 085006

Y2  - 2026/05/13

ER  -