TY - JOUR
T1 - Effective doping and suppression of fermi surface reconstruction via Fe vacancy disorder in K xFe 2-ySe 2
AU - Berlijn, Tom
AU - Hirschfeld, P. J.
AU - Ku, Wei
PY - 2012/10/3
Y1 - 2012/10/3
N2 - We investigate the effect of disordered vacancies on the normal-state electronic structure of the newly discovered alkali-intercalated iron selenide superconductors. To this end, we use a recently developed Wannier function based method to calculate from first principles the configuration-averaged spectral function A(k,ω) of K 0.8Fe 1.6Se 2 with disordered Fe and K vacancies. We find that the disorder can suppress the expected Fermi surface reconstruction without completely destroying the Fermi surface. More interestingly, the disorder effect raises the chemical potential significantly, giving enlarged electron pockets similar to highly doped KFe 2Se 2, without adding carriers to the system.
AB - We investigate the effect of disordered vacancies on the normal-state electronic structure of the newly discovered alkali-intercalated iron selenide superconductors. To this end, we use a recently developed Wannier function based method to calculate from first principles the configuration-averaged spectral function A(k,ω) of K 0.8Fe 1.6Se 2 with disordered Fe and K vacancies. We find that the disorder can suppress the expected Fermi surface reconstruction without completely destroying the Fermi surface. More interestingly, the disorder effect raises the chemical potential significantly, giving enlarged electron pockets similar to highly doped KFe 2Se 2, without adding carriers to the system.
UR - http://www.scopus.com/inward/record.url?scp=84867075011&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.109.147003
DO - 10.1103/PhysRevLett.109.147003
M3 - Article
AN - SCOPUS:84867075011
SN - 0031-9007
VL - 109
JO - Physical Review Letters
JF - Physical Review Letters
IS - 14
M1 - 147003
ER -