LEADER 03847nam 22006015 450 001 9910254629003321 005 20200704082157.0 010 $a981-10-1442-6 024 7 $a10.1007/978-981-10-1442-0 035 $a(CKB)3710000000778452 035 $a(DE-He213)978-981-10-1442-0 035 $a(MiAaPQ)EBC4623057 035 $a(PPN)194805131 035 $a(EXLCZ)993710000000778452 100 $a20160803d2016 u| 0 101 0 $aeng 135 $aurnn|008mamaa 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aAb Initio Studies on Superconductivity in Alkali-Doped Fullerides$b[electronic resource] /$fby Yusuke Nomura 205 $a1st ed. 2016. 210 1$aSingapore :$cSpringer Singapore :$cImprint: Springer,$d2016. 215 $a1 online resource (XX, 143 p. 27 illus., 18 illus. in color.) 225 1 $aSpringer Theses, Recognizing Outstanding Ph.D. Research,$x2190-5053 311 $a981-10-1441-8 320 $aIncludes bibliographical references. 327 $aIntroduction to superconductivity in alkali-doped fullerides -- Methods: Ab initio downfolding and model-calculation techniques -- Application of cDFPT to alkali-doped fullerides -- Analysis of low-energy Hamiltonians with extended DMFT -- Concluding remarks. 330 $aThis book covers high-transition temperature (Tc) s-wave superconductivity and the neighboring Mott insulating phase in alkali-doped fullerides. The author presents (1) a unified theoretical description of the phase diagram and (2) a nonempirical calculation of Tc. For these purposes, the author employs an extension of the DFT+DMFT (density-functional theory + dynamical mean-field theory). He constructs a realistic electron?phonon-coupled Hamiltonian with a newly formulated downfolding method. The Hamiltonian is analyzed by means of the extended DMFT. A notable aspect of the approach is that it requires only the crystal structure as a priori knowledge. Remarkably, the nonempirical calculation achieves for the first time a quantitative reproduction of the experimental phase diagram including the superconductivity and the Mott phase. The calculated Tc agrees well with the experimental data, with the difference within 10 K. The book provides details of the computational scheme, which can also be applied to other superconductors and other phonon-related topics. The author clearly describes a superconducting mechanism where the Coulomb and electron­?phonon interactions show an unusual cooperation in the superconductivity thanks to the Jahn?Teller nature of the phonons. 410 0$aSpringer Theses, Recognizing Outstanding Ph.D. Research,$x2190-5053 606 $aSuperconductivity 606 $aSuperconductors 606 $aPhysics 606 $aSolid state physics 606 $aStrongly Correlated Systems, Superconductivity$3https://scigraph.springernature.com/ontologies/product-market-codes/P25064 606 $aNumerical and Computational Physics, Simulation$3https://scigraph.springernature.com/ontologies/product-market-codes/P19021 606 $aSolid State Physics$3https://scigraph.springernature.com/ontologies/product-market-codes/P25013 615 0$aSuperconductivity. 615 0$aSuperconductors. 615 0$aPhysics. 615 0$aSolid state physics. 615 14$aStrongly Correlated Systems, Superconductivity. 615 24$aNumerical and Computational Physics, Simulation. 615 24$aSolid State Physics. 676 $a537.623 700 $aNomura$b Yusuke$4aut$4http://id.loc.gov/vocabulary/relators/aut$0816189 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910254629003321 996 $aAb Initio Studies on Superconductivity in Alkali-Doped Fullerides$91821446 997 $aUNINA