Both the intrinsic anisotropic optical materials and fullerene-assembled 2D materials have attracted much interest in fundamental science and potential applications.The synthesis of a monolayer(ML)fullerene makes the ...Both the intrinsic anisotropic optical materials and fullerene-assembled 2D materials have attracted much interest in fundamental science and potential applications.The synthesis of a monolayer(ML)fullerene makes the combination of these two features plausible.In this work,using first-principles calculations,we systematically study the electronic structure and optical properties of quasi-hexagonal phase(qHP)ML and quasi-tetragonal phase(qTP)ML fullerenes.The calculations of q HP ML show that it is a semiconductor with small anisotropic optical absorption,which agrees with the recent experimental measurements.However,the results for qTP ML reveal that it is a semimetal with highly in-plane anisotropic absorption.The dichroic ratio,namely the absorption ratio of x-and y-polarized lightα_(xx)/α_(yy),is around 12 at photon energy of 0.29 eV.This anisotropy is much more pronounced when the photon energy is between 0.7 and 1.4 eV,whereα_(xx)becomes nearly zero whileα_(yy)is more than two orders of magnitude larger.This indicates qTP ML as a candidate for long-pursuit lossless metal and a potential material for atomically thin polarizer.We hope this will stimulate further experimental eforts in the study of qTP ML and other fullerene-assembled 2D materials.展开更多
基金supported by the National Natural Science Foundation of China(Grant Nos.11974076,11925408,11921004,12188101,and11874335)Key Project of Natural Science Foundation of Fujian Province(Grant No.2021J02012)+2 种基金Ministry of Science and Technology of China(Grant Nos.2018YFA0305700,and 2022YFA1403800)Chinese Academy of Sciences(Grant No.XDB33000000)Informatization Plan of Chinese Academy of Sciences(Grant No.CAS-WX2021SF-0102)。
文摘Both the intrinsic anisotropic optical materials and fullerene-assembled 2D materials have attracted much interest in fundamental science and potential applications.The synthesis of a monolayer(ML)fullerene makes the combination of these two features plausible.In this work,using first-principles calculations,we systematically study the electronic structure and optical properties of quasi-hexagonal phase(qHP)ML and quasi-tetragonal phase(qTP)ML fullerenes.The calculations of q HP ML show that it is a semiconductor with small anisotropic optical absorption,which agrees with the recent experimental measurements.However,the results for qTP ML reveal that it is a semimetal with highly in-plane anisotropic absorption.The dichroic ratio,namely the absorption ratio of x-and y-polarized lightα_(xx)/α_(yy),is around 12 at photon energy of 0.29 eV.This anisotropy is much more pronounced when the photon energy is between 0.7 and 1.4 eV,whereα_(xx)becomes nearly zero whileα_(yy)is more than two orders of magnitude larger.This indicates qTP ML as a candidate for long-pursuit lossless metal and a potential material for atomically thin polarizer.We hope this will stimulate further experimental eforts in the study of qTP ML and other fullerene-assembled 2D materials.
