Comment on “Charge-Density Wave and Superconducting Dome in TiSe2 from Electron-Phonon Interaction”

Physical Review Letters

Volumn 112, Issue 4, 2014, Pages

  Olevano, V ^a   Cazzaniga, M ^a,b   Ferri, M ^b   Caramella, L ^b   Onida, G ^b  

^a CNRS   (France)

^b UNIVERSITY OF MILAN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84894430274     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.112.049701     Document Type: Article

References (12)

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4. TiSe 2 phonon dispersion with imaginary frequencies were already reported in the 1980s [5,6] by perturbation theory over an LDA calculation [7] carried out at the experimental-unrelaxed-lattice parameters.
5. K. Motizuki, N. Suzuki, Y. Yoshida, and Y. Takaoka, Solid State Commun. 40, 995 (1981). SSCOA4 0038-1098 10.1016/0038-1098(81)90052-1 (Pubitemid 12467463)
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8. We used Ti.pz-sp-van.UPF and Se.pz-bhs.UPF from http://www.quantum- espresso.org.
9. See, e.g., M. B. Nardelli, S. Baroni and P. Giannozzi, Phys. Rev. B 51, 8060 (1995). PRBMDO 0163-1829 10.1103/PhysRevB.51.8060
10. Z. Zhu, Y. Cheng, and U Schwingenschlögl, Phys. Rev. B 85, 245133 (2012), see Fig. 2(a). PRBMDO 1098-0121 10.1103/PhysRevB.85.245133
11. This happens despite the fact that GGA overcomes the problem of the usual LDA lattice constant underestimation.
12. S. Baroni, S. de Gironcoli, A. D. Corso, and P. Giannozzi, Rev. Mod. Phys. 73, 515 (2001). RMPHAT 0034-6861 10.1103/RevModPhys.73.515