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1、cbpfuc - irvineworkshop on digital design of materials - 09/201301234?scscscx0.50.50.5irrhcocoafmt* (k)routes for finding superconductors based on structural trendsoutlinei. hfs in similar crystal structuresii. the role of dimensionality and crystal structures (cef single ion anisotropy)iii. possibl

2、e relationship with feas-based intermetallic iv. the role of local distortion of feas bondsv. substitution effects on the localization character and orbital degrees of freedom of the fe 3d bands vi. implications in new materials search and suggestions for digital design 01234?scscscx0.50.50.5irrhcoc

3、oafmt* (k)0.00.20.40.60.81.00.51.01.52.02.53.0sg tn(cp) tg( sr) tc( )x afmt *(k)sccemmnin3m+2nce2rh1-xirxin8 3,4,5cerh1-x(ir,co)xin5 1,21 pagliuso et al, physica b, 312, 129 (2002).2 pagliuso et al, phys.rev b, 64, 100503(r) (2001). 3 e.n. hering et al physica b, 378, 423 (2006). 4 e.n. hering, phys

4、ica b, 403, 780 (2008);5 e. n. hering, c. adriano, et al, prb (2011).-ce2coin8tc 1.0 k 600 mj/k2 mole ce1.6101.6151.6201.6251.6301.6351.6400.00.51.01.52.02.5?cerhin5 ( 16 kbar)ceco0.5rh0.5in5ceco0.5ir0.5in5ceco0.5ir0.5in5cerh0.5ir0.5in5cerh0.25ir0.75in5ceirin5cecoin5tcc/ac/a as control parameter for

5、 tcis there an intrisic parameter in this plot, which depends on c/a and determines tc?p.g. pagliuso et al. prb, 100503 (r) (2002); physica b 312-313, 129 (2002). tuning:-jrkky- tk- cef 0.00.20.40.60.81.01.21.41.61.82.0012 ndir ndrh gdir gdrh ceir cerh tbrh2-1-81-1-51-0-3p/p(1-0-3)r-a-intn/tn(1-0-3)

6、tn evolution for rmanin3m+2n(m = 1,2 ; n =0,1) p.g. pagliuso et al. physical review b. 62, 12266 (2000) also prb 2001.re moments ordered alongc-axis.re moments in the ab-plane.garcia, e. miranda, et al. jap (2006)ins and xas cef study in ce-m-int. willers et al.a. severing et al. prb (2010)a.d. chri

7、stianson et al prb (2004). extrapolation of cef trend to ce-based materialstrkkytk tn(increasing of g-anisotropy)frustrated local moments + hybridization strong magnetic-fluctuations?isotropiccubicanisotropicanisotropicanisotropictetragonal 1-1-5 feas-intermetallics ?m. s. torikachvilli et al. prb 2

8、008.marianne rotter al. new j. of phys. (2009).11feas-based superconductorscommon structural parameter: feas4 tetrahedral common electronic parameter: sdw magnetic instability j. paglione and r. l. greene. nature physics 6, 645 (2010).e. granado et al. prb 83, 184508 (2011)resultados exafssite speci

9、fic esr on fe-based intermetallic compounds ho g-value or it h relaxation and inhomogeneity i (t) esr resultsp. f. s. rosa et al. physical review b 86, 165131 (2012)p. f. s. rosa et al. submitted to prl (2013).eu 2+esr - resultsp. f. s. rosa et al. physical review b 86, 165131 (2012)p. f. s. rosa et

10、 al. submitted to prl (2013).xyzxyzsmaller dfe-as with chemical substitution, hydrostatic pressure and magnetic field in the plane! xy occupation increases sdw phase vanishes implications for designing materialsquasi 2-d helps a lot; maybe not much 2-d needed increase c/a tune cef gsneed bigger band

11、widths to increase tsf, but keep optimized tc/tsf - 3d spins in the active layer. to increase tc for magnetically mediated sc:tsf, characteristic t for spin fluctuations hightunable carrier density1-1-5 e 2-1-81-2-2 2-1-4, etc examples for digital design?1) bi2cuin8 3d single band at fs? which symmetry? 2) cafesn5fe 3d t2g at the fermi level?dxy with larger occupation? 3) yb2coas4yb3+gs ising like?energy scale of 4-electrons? 2-1-81-2-2 2-1-4 0,8 1

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