Bulletin of the American Physical Society
APS March Meeting 2021
Volume 66, Number 1
Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA
Session R43: Normal State Properties of Unconventional Superconductors
8:00 AM–11:00 AM,
Thursday, March 18, 2021
Sponsoring Unit: DCMP
Chair: Zhenzhong Shi, Duke University
Abstract: R43.00006 : Thermodynamic electric quadrupole moments in iron-based superconductors and a cuprate superconductor from first principles
9:00 AM–9:12 AM
Quantum-mechanical formulation of multipole moments in materials with the C4 symmetry breaking has not been completed, in contrast to C4-preserving cases [1, 2]. Recently, the thermodynamic approach to the formulation of EQMs  has been proposed. These formulations are unit cell independent and gauge invariant. Thus, it is now possible to evaluate EQMs-related properties and discuss their origin.
In this work, we analyze thermodynamic EQMs in three materials: LaFeAsO, FeSe, and La2CuO4 which show nematic phases, using a multiband tight-binding models constructed by a first-principles calculation. We discuss thermodynamic EQMs arising from an orbital order and/or bond order. Based on the results, we discuss the difference between iron-based superconductors and cuprate superconductors` EQMs.
 Wladimir A. Benalcazar, B. Andrei Bernevig, and Taylor L. Jughes, Science. 357 61 (2017)
 Wladimir A. Benalcazar, B. Andrei Bernevig, and Taylor L. Jughes, Phys. Rev. B. 96 245115 (2017)
 A. Daido, A. Shitade, and Y. Yanase, arXiv:2010.13999 (2020)
The American Physical Society (APS) is a non-profit membership organization working to advance the knowledge of physics.
1 Physics Ellipse, College Park, MD 20740-3844
Editorial Office 1 Research Road, Ridge, NY 11961-2701 (631) 591-4000
Office of Public Affairs 529 14th St NW, Suite 1050, Washington, D.C. 20045-2001 (202) 662-8700