Journal
JOURNAL OF APPLIED PHYSICS
Volume 111, Issue 3, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3684710
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Funding
- State Key Program for Basic Researches of China [2010CB923404]
- National Natural Science Foundation of China [11074109, 11174125]
- Natural Science Foundation of Jiangsu Province in China [SBK200920627]
- National Climbing Program of China [91021003]
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We investigate the lattice dynamics in both nonmagnetic and striped antiferromagnetic states of 111-type iron pnictides using the density-functional perturbation theory. The anisotropic spin-phonon effects lead to the softening of phonon frequencies and the renormalization of electronphonon matrix elements, so as to increase the electron-phonon couplings by 68%, 65%, and 0.9% for LiFeAs, NaFeAs, and LiFeP, respectively. Taking into account the vacancy effects in the three iron pnictides, we find that the electron-phonon couplings are further enhanced by hole doping, yielding superconducting transition temperatures close to their experimental values. 2012 American Institute of Physics. [doi:10.1063/1.3684710]
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