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- W44662358 abstract "Vanadium dioxide (VO$_2$) is a fascinating demonstration of the exotic physics that appears in materials when electron correlation is important. The metal-insulator transition has both technological importance and fundamental interest, since its nature has been a matter of ongoing debate for nearly five decades. The strongly correlated nature of this material has been a particular barrier, as evidenced by the failure of standard density functional theory approaches to describe the transition. The authors present highly accurate quantum Monte Carlo calculations performed from first principles, which provide unprecedented detail into the microscopic electronic structure of VO$_2$. The relative contribution of structural symmetry breaking and electron correlation are quantitatively evaluated. The structural distortion of the metal-insulator transition cooperates with the electron correlations to form a state of singlet dimers. The general methodology presented here is applicable to other materials with strongly correlated phase transitions." @default.
- W44662358 created "2016-06-24" @default.
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- W44662358 date "2013-10-03" @default.
- W44662358 modified "2023-09-27" @default.
- W44662358 title "The mechanism of metal-insulator transition in vanadium dioxide from a first-principles quantum Monte Carlo perspective" @default.
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