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Trivial topological phase of CaAgP and the topological nodal-line transition in CaAg(P1-xAsx)

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arxiv 1804.09327 v1 pith:CKKRO4DT submitted 2018-04-25 cond-mat.mtrl-sci cond-mat.mes-hall

N. Xu , Y. T. Qian , Q. S. Wu , G. Autes , C. E. Matt , B. Q. Lv , M. Y. Yao , V. N. Strocov
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E. Pomjakushina K. Conder N. C. Plumb M. Radovic O. V. Yazyev T. Qian H. Ding J. Mesot M. Shi
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classification cond-mat.mtrl-scicond-mat.mes-hall
keywords topologicalcaagpphasecalculationstransitiontrivialcaagnodal-line
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By performing angle-resolved photoemission spectroscopy and first-principles calculations, we address the topological phase of CaAgP and investigate the topological phase transition in CaAg(P1-xAsx). We reveal that in CaAgP, the bulk band gap and surface states with a large bandwidth are topologically trivial, in agreement with hybrid density functional theory calculations. The calculations also indicate that application of "negative" hydrostatic pressure can transform trivial semiconducting CaAgP into an ideal topological nodal-line semimetal phase. The topological transition can be realized by partial isovalent P/As substitution at x = 0.38.

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