Alkali metal doping of MPS3 recharges either the P2S6 ligands (MnPS3) or the transition-metal d-shells (Fe, Co, Ni), with CoPS3 showing new dispersive states above the valence band maximum.
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Electronic structure reorganization in MPS3 via d-shell-selective alkali metal doping
Alkali metal doping of MPS3 recharges either the P2S6 ligands (MnPS3) or the transition-metal d-shells (Fe, Co, Ni), with CoPS3 showing new dispersive states above the valence band maximum.