Lifshitz Transitions in 122-Pnictides Under Pressure

Abstract

We demonstrate, using $T=0$ first principles total energy calculations, that observed pressure-driven anomalies in the entire 122-pnictides family ($A$Fe${}_2$As${}_2$; $A$ = alkali earth element Ca, Sr, Ba) can be understood as consequences of Lifshitz transitions (LTs) \cite{Lifshitz60}. Our results for energy band dispersions and spectra, lattice parameters, enthalpies, magnetism, and elastic constants over a wide range of hydrostatic pressure provide a coherent understanding of multiple transitions in these compounds, namely, enthalpic, magnetic and tetragonal (T) - collapsed tetragonal (cT) transitions. In particular, the T-cT transition and anomalies in lattice parameters and elastic properties, observed at finite temperatures, are interpreted as arising from proximity to $T=0$ Lifshitz transitions, wherein pressure causes non-trivial changes in the Fermi surface topology in these materials.

References in corpus (12)

• Magnetic order in BaFe2As2, the parent compound of the FeAs based superconductors in a new structural family
• Superconductivity up to 29 K in SrFe2As2 and BaFe2As2 at high pressures
• The Unprecedented Giant Coupling of Fe-spin State and the As-As Hybridization in Iron-Pnictide
• Magnetic and structural transitions in layered FeAs systems: AFe2As2 versus RFeAsO compounds
• Lattice collapse and quenching of magnetism in CaFe2As2 under pressure: A single crystal neutron and x-ray diffraction investigation
• Importance of Fermi surface topology for high temperature superconductivity in electron-doped iron arsenic superconductors
• On the multi-orbital band structure and itinerant magnetism of iron-based superconductors
• Extremely high sensitivity to uniaxial stress in pressure induced superconductivity of BaFe2As2
• Effect of pressure on the structural phase transition and superconductivity in (B$_{1-x}K_x)Fe_2As_2 (x = 0 and 0.45) and SrFe_2As_2 single crystals
• Dramatic Changes in the Electronic Structure Upon Transition to the Collapsed Tetragonal Phase in CaFe2As2
• Lifshitz transitions and elastic properties of Osmium under pressure
• Pressure- and temperature-induced structural phase transitions of CaFe${}_2$As${}_2$ and BaFe${}_2$As${}_2$ studied in the Hund's rule correlation picture

Cited by in corpus (6)

• Effects of Lifshitz Transition on Charge Transport in Magnetic Phases of Fe-Based Superconductors
• Quantum Annealed Criticality
• Pressure induced Lifshitz transition in ThFeAsN
• Quantum Annealed Criticality: A Scaling Description
• Superconductivity on the verge of electronic topological transition in Fe based superconductors
• Pressure-induced exciton formation and superconductivity in platinum-based mineral Sperrylite