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The hidden competing phase revealed by first-principles calculations of phonon instability in the nearly optimally doped cuprate LaSrCuO
Chi-Cheng Lee, Ji-Yao Chiu, Yukiko Yamada-Takamura +1
The representative cuprate, LaMCuO, with M = Sr and is studied via first-principles calculations in the high-temperature tetragonal (HTT), low-temperature…
Topological superconductor in quasi-one-dimensional Tl2-xMo6Se6
Shin-Ming Huang, Chuang-Han Hsu, Su-Yang Xu +4
We propose that the quasi-one-dimensional molybdenum selenide compound Tl2-xMo6Se6 is a time-reversal-invariant topological superconductor induced by inter-sublattice pairing, even…
Magnetic softness in iron-based superconductors
Wei-Guo Yin, Chi-Cheng Lee, Wei Ku
We examine the relevance of several major material-dependent parameters to the magnetic softness in iron-base superconductors by first-principles electronic structure analysis of t…
One-Fe versus Two-Fe Brillouin Zone of Fe-Based Superconductors: Creation of the Electron Pockets via Translational Symmetry Breaking
Chia-Hui Lin, Tom Berlijn, Limin Wang +3
We investigate the physical effects of translational symmetry breaking in Fe-based high-temperature superconductors due to alternating anion positions. In the representative parent…
Unified Picture for Magnetic Correlations in Iron-Based Superconductors
Wei-Guo Yin, Chi-Cheng Lee, Wei Ku
The varying metallic antiferromagnetic correlations observed in iron-based superconductors are unified in a model consisting of both itinerant electrons and localized spins. The de…
Ferro-Orbital Order and Strong Magnetic Anisotropy in the Parent Compounds of Iron-Pnictide Superconductors
Chi-Cheng Lee, Wei-Guo Yin, Wei Ku
The puzzling nature of magnetic and lattice phase transitions of iron pnictides is investigated via a first-principles Wannier function analysis of representative parent compound L…