Dirac fermions in the layered titanium-based oxypnictide superconductor BaTi2Bi2O

Xianbiao Shi; Li Chen; Peng He; Guangtao Wang; Gongping Zheng; Xin Liu; Weiwei Zhao

doi:10.1103/PhysRevB.99.155155

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Dirac fermions in the layered titanium-based oxypnictide superconductor BaTi2Bi2O

Xianbiao Shi, Li Chen, Peng He, Guangtao Wang, Gongping Zheng, Xin Liu, Weiwei Zhao

DOI 10.1103/PhysRevB.99.155155 · Physical Review B

T1

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Abstract

First-principles calculations and effective model analysis are used to prove the existence of a single pair of three-dimensional Dirac points in the well-known layered titanium-based oxypnictide superconductor BaTi2Bi2O. The nontrivial topological character of BaTi2Bi2O is demonstrated by calculating the surface states. The Dirac points, residing on the rotational axis, are found approximately 70 meV below the Fermi level which can be lifted to Fermi surface by Sb doping. The Dirac points and related physics are expected to be detected by angle-resolved photoemission spectroscopy. This compound is also found to be a superconductor with transition temperature (Tc)4.6 K; our results may provide an appropriate platform to study the interplay between topological Dirac fermions and superconductivity.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
BaTi2Bi2O Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	4.6	Pressure not reported	unknown
Sr2RuO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	0.93	Pressure not reported	unknown
Au2Pb Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	1.2	Pressure not reported	unknown
PdTe2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	1.64	Pressure not reported	unknown
CuxBi2Se3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	3.8	Pressure not reported	unknown
PbTaSe2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	3.8	Pressure not reported	unknown