scholarly journals A large modulation of electron-phonon coupling and an emergent superconducting dome in doped strong ferroelectrics

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Jiaji Ma ◽  
Ruihan Yang ◽  
Hanghui Chen

AbstractWe use first-principles methods to study doped strong ferroelectrics (taking BaTiO3 as a prototype). Here, we find a strong coupling between itinerant electrons and soft polar phonons in doped BaTiO3, contrary to Anderson/Blount’s weakly coupled electron mechanism for "ferroelectric-like metals”. As a consequence, across a polar-to-centrosymmetric phase transition in doped BaTiO3, the total electron-phonon coupling is increased to about 0.6 around the critical concentration, which is sufficient to induce phonon-mediated superconductivity of about 2 K. Lowering the crystal symmetry of doped BaTiO3 by imposing epitaxial strain can further increase the superconducting temperature via a sizable coupling between itinerant electrons and acoustic phonons. Our work demonstrates a viable approach to modulating electron-phonon coupling and inducing phonon-mediated superconductivity in doped strong ferroelectrics and potentially in polar metals. Our results also show that the weakly coupled electron mechanism for "ferroelectric-like metals” is not necessarily present in doped strong ferroelectrics.

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Kwangrae Kim ◽  
Hoon Kim ◽  
Jonghwan Kim ◽  
Changil Kwon ◽  
Jun Sung Kim ◽  
...  

AbstractCoulomb attraction between electrons and holes in a narrow-gap semiconductor or a semimetal is predicted to lead to an elusive phase of matter dubbed excitonic insulator. However, direct observation of such electronic instability remains extremely rare. Here, we report the observation of incipient divergence in the static excitonic susceptibility of the candidate material Ta2NiSe5 using Raman spectroscopy. Critical fluctuations of the excitonic order parameter give rise to quasi-elastic scattering of B2g symmetry, whose intensity grows inversely with temperature toward the Weiss temperature of TW ≈ 237 K, which is arrested by a structural phase transition driven by an acoustic phonon of the same symmetry at TC = 325 K. Concurrently, a B2g optical phonon becomes heavily damped to the extent that its trace is almost invisible around TC, which manifests a strong electron-phonon coupling that has obscured the identification of the low-temperature phase as an excitonic insulator for more than a decade. Our results unambiguously reveal the electronic origin of the phase transition.


2020 ◽  
Vol 101 (15) ◽  
Author(s):  
Jian-Feng Zhang ◽  
Peng-Jie Guo ◽  
Miao Gao ◽  
Kai Liu ◽  
Zhong-Yi Lu

2007 ◽  
Vol 21 (18n19) ◽  
pp. 3330-3333
Author(s):  
R. MA ◽  
M. LIU ◽  
G. Q. HUANG

In this paper, using the first-principles calculations, we study the crystal structure effect on the superconductivity in CaAlSi . It is proposed that an AF-like superstructure model for Al (or Si ) atoms arranged along the c direction may mediate the inconsistency of the electron-phonon coupling estimated from theory and experiment, and explain the anomalous superconductivity in CaAlSi .


RSC Advances ◽  
2016 ◽  
Vol 6 (102) ◽  
pp. 100526-100531 ◽  
Author(s):  
A. J. Mao ◽  
H. Tian ◽  
X. Y. Kuang ◽  
J. W. Jia ◽  
J. S. Chai

Structural phase transition and spin reorientation of orthoferrites LaFeO3 epitaxially grown along the pseudocubic (001) direction are investigated based on first-principles calculation.


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