Imperial College London

Professor WE (Bill) Lee FREng

Faculty of EngineeringInstitute for Security Science & Technology

Co-Director of Institute for Security Science and Technology



+44 (0)20 7594 6733w.e.lee Website




Ms Denise McGurk +44 (0)20 7594 8864




Central LibrarySouth Kensington Campus






BibTex format

author = {Burr, PA and Horlait, D and Lee, WE},
doi = {10.1080/21663831.2016.1222598},
journal = {Materials Research Letters},
pages = {144--157},
title = {Experimental and DFT investigation of (Cr,Ti)<inf>3</inf>AlC<inf>2</inf> MAX phases stability},
url = {},
volume = {5},
year = {2016}

RIS format (EndNote, RefMan)

AB - Using a synergistic combination of experimental and computational methods, we shed light on the unusual solubility of (Cr,Ti)3AlC2 MAX phase, showing that it may accommodate Cr only at very low concentrations (<2 at%) or at the exact Cr/(Cr + Ti) ratio of 2/3, even when the ratio of reactants is far from this stoichiometry (1/2 ≤ Cr/(Cr + Ti) ≤ 5/6). In both phases, Cr exclusively occupies the 4f sites, bridging carbide layers with the Al layer. Despite this, the peculiar stability of (Cr2/3Ti1/3)3AlC2 is attributed to the formation of strong, spin-polarized Cr–C bonds, which result in volume reduction and a marked increase in c/a ratio. IMPACT STATEMENT Solubility of Cr and Ti in (Cr,Ti)3AlC2 was investigated using experimental and DFT techniques. It was also determined that (Cr2/3Ti1/3)3AlC2 owe its remarkable stability to the formation strong Cr–C bonds.
AU - Burr,PA
AU - Horlait,D
AU - Lee,WE
DO - 10.1080/21663831.2016.1222598
EP - 157
PY - 2016///
SN - 2166-3831
SP - 144
TI - Experimental and DFT investigation of (Cr,Ti)<inf>3</inf>AlC<inf>2</inf> MAX phases stability
T2 - Materials Research Letters
UR -
UR -
VL - 5
ER -