The superconducting dome in electron-doped MoS2 is recreated from first principles and traced to the 1x1 H to 2x2 charge-density-wave transition and later structural phases.
Charge density waves in electron-doped molybdenum disulfide
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abstract
We present the discovery of a charge density wave (CDW) ground state in heavily electron-doped molybdenum disulfide (MoS$_2$). This is the first observation of a CDW in any $d^2$ (column 6) transition metal dichalcogenide (TMD). The band structure of MoS$_2$ is distinct from the $d^0$ and $d^1$ TMDs in which CDWs have been previously observed, facilitating new insight into CDW formation. We demonstrate a metal-insulator transition at 85 K, a 25 meV gap at the Fermi level, and two distinct CDW modulations, $(2\sqrt{3}\times2\sqrt{3})$R$30^\circ$ and $2\times2$, attributable to Fermi surface nesting (FSN) and electron-phonon coupling (EPC), respectively. This simultaneous exhibition of FSN and EPC CDW modulations is unique among observations of CDW ground states, and we discuss this in the context of band folding. Our observations provide a route toward the resolution of controversies surrounding the origin of CDW modulations in TMDs.
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Understanding the origin of superconducting dome in electron-doped MoS$_2$ monolayer
The superconducting dome in electron-doped MoS2 is recreated from first principles and traced to the 1x1 H to 2x2 charge-density-wave transition and later structural phases.