RIXS measurements and cluster calculations determine opposite trigonal distortions in VBr3 (-0.096 eV) and VI3 (0.07 eV), yielding distinct high-spin V3+ ground states.
First-principles calculations of the electronic structure and spectra of strongly correlated systems: the lda+ u method.Journal of Physics: Condensed Matter, 9(4):767, 1997
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Trigonal Distortion Driven Ground States in VX3 (X = Br and I)
RIXS measurements and cluster calculations determine opposite trigonal distortions in VBr3 (-0.096 eV) and VI3 (0.07 eV), yielding distinct high-spin V3+ ground states.