Abstract
(CDW) metal with superconductivity emerging at extremely low
temperature (Tc = 0.1 K). Here, by first-principles calculations
including the explicit calculation of the screened Coulomb
interaction, we demonstrate enhanced superconductivity in the
CDW state of monolayer 1H-TaSe2 observed in recent experi-
ments. Its ground-state 3 × 3 CDW phase features triangular
clustering of Ta atoms and possesses a large electron−phonon
coupling of λ = 0.74, yielding an order of magnitude higher
superconducting Tc compared to the bulk. Upon lowering the
thickness from bulk to monolayer TaSe2, the CDW intensifies with
slightly decreased Fermi-level density of states, while super-
conductivity gets boosted via a largely increased intrinsic
electron−phonon coupling strength, which overcomes both the CDW effect and naturally reinforced Coulomb repulsion.
These results uncover the simultaneously enhanced CDW and superconducting orders in the two-dimensional limit for the first
time and have key implications for other CDW metals like 2H-TaS2.
| Original language | English |
|---|---|
| Article number | 9b01480 |
| Pages (from-to) | 4076 |
| Number of pages | 4081 |
| Journal | Journal of Physical Chemistry Letters |
| Volume | 10 |
| Issue number | 14 |
| Publication status | Published - 5 Jul 2019 |
Fingerprint
Cite this
Coexistence of Superconductivity with Enhanced Charge Density Wave Order in the Two-Dimensional Limit of TaSe2. / Lian, Chao-Sheng; Heil, Christoph; Liu, Xiaoyu; Si, Chen; Giustino, Feliciano; Duan, Wenhui.
In: Journal of Physical Chemistry Letters, Vol. 10, No. 14, 9b01480, 05.07.2019, p. 4076.Research output: Contribution to journal › Letter › Research › peer-review
}
TY - JOUR
T1 - Coexistence of Superconductivity with Enhanced Charge Density Wave Order in the Two-Dimensional Limit of TaSe2
AU - Lian, Chao-Sheng
AU - Heil, Christoph
AU - Liu, Xiaoyu
AU - Si, Chen
AU - Giustino, Feliciano
AU - Duan, Wenhui
PY - 2019/7/5
Y1 - 2019/7/5
N2 - Bulk 2H-TaSe2 is a model charge density wave(CDW) metal with superconductivity emerging at extremely lowtemperature (Tc = 0.1 K). Here, by first-principles calculationsincluding the explicit calculation of the screened Coulombinteraction, we demonstrate enhanced superconductivity in theCDW state of monolayer 1H-TaSe2 observed in recent experi-ments. Its ground-state 3 × 3 CDW phase features triangularclustering of Ta atoms and possesses a large electron−phononcoupling of λ = 0.74, yielding an order of magnitude highersuperconducting Tc compared to the bulk. Upon lowering thethickness from bulk to monolayer TaSe2, the CDW intensifies withslightly decreased Fermi-level density of states, while super-conductivity gets boosted via a largely increased intrinsicelectron−phonon coupling strength, which overcomes both the CDW effect and naturally reinforced Coulomb repulsion.These results uncover the simultaneously enhanced CDW and superconducting orders in the two-dimensional limit for the firsttime and have key implications for other CDW metals like 2H-TaS2.
AB - Bulk 2H-TaSe2 is a model charge density wave(CDW) metal with superconductivity emerging at extremely lowtemperature (Tc = 0.1 K). Here, by first-principles calculationsincluding the explicit calculation of the screened Coulombinteraction, we demonstrate enhanced superconductivity in theCDW state of monolayer 1H-TaSe2 observed in recent experi-ments. Its ground-state 3 × 3 CDW phase features triangularclustering of Ta atoms and possesses a large electron−phononcoupling of λ = 0.74, yielding an order of magnitude highersuperconducting Tc compared to the bulk. Upon lowering thethickness from bulk to monolayer TaSe2, the CDW intensifies withslightly decreased Fermi-level density of states, while super-conductivity gets boosted via a largely increased intrinsicelectron−phonon coupling strength, which overcomes both the CDW effect and naturally reinforced Coulomb repulsion.These results uncover the simultaneously enhanced CDW and superconducting orders in the two-dimensional limit for the firsttime and have key implications for other CDW metals like 2H-TaS2.
M3 - Letter
VL - 10
SP - 4076
JO - The journal of physical chemistry letters
JF - The journal of physical chemistry letters
SN - 1948-7185
IS - 14
M1 - 9b01480
ER -