HHe^(+)is considered as the strongest acid and most powerful proton donor known to human.Whether HHe^(+)exists at planetary high pressure environment is a quite important problem in physics,chemistry and planetary sci...HHe^(+)is considered as the strongest acid and most powerful proton donor known to human.Whether HHe^(+)exists at planetary high pressure environment is a quite important problem in physics,chemistry and planetary sciences.Here,using the ab initio evolutionary algorithm USPEX package,we searched HF–He system,which was reported as the most possible candidate to contain HHe^(+).The calculation proved HHe^(+)cannot form at pressure<1000 GPa,due to a conflict between the covalent component in symmetric hydrogen bond and ionic HHe^(+).Although He atoms have no chemical bonding with other elements,they can supply a chemical pressure,leading to two new phases He2(HF)4 and He(HF).With coplanar(HF)_(4)rings,He_(2)(HF)_(4)have an aromaticity-like electronic behavior while He(HF)has a new type of chiral HF chain.The formation of He_(2)(HF)_(4)and He(HF)prove that the chemical pressure from He,on par with external pressure,have ability to control the structural and electronic configuration and induce some new familiars of compounds include H and He elements which are fundamental planetary materials in giant planets.展开更多
In the quasi-free electron model,the Fermi surface spreads into a sphere in the Brillouin zone,i.e.,the Fermi sphere.The Fermi sphere exists widely in metal systems,no matter whether the crystal is in a body-center cu...In the quasi-free electron model,the Fermi surface spreads into a sphere in the Brillouin zone,i.e.,the Fermi sphere.The Fermi sphere exists widely in metal systems,no matter whether the crystal is in a body-center cubic,face-center cubic,or hexagonal close-packed lattice.Here,we report a class of compounds stabilized at high pressure with Rubik’s cubic Fermi surface.展开更多
基金NSFC(Grants No.21803033)Yong Elite Scientists Sponsorship Program by Tianjin(Grant No.TJSQNTJ-2018-18)the support by doctor foundation of Tianjin Normal University(52XB1911).
文摘HHe^(+)is considered as the strongest acid and most powerful proton donor known to human.Whether HHe^(+)exists at planetary high pressure environment is a quite important problem in physics,chemistry and planetary sciences.Here,using the ab initio evolutionary algorithm USPEX package,we searched HF–He system,which was reported as the most possible candidate to contain HHe^(+).The calculation proved HHe^(+)cannot form at pressure<1000 GPa,due to a conflict between the covalent component in symmetric hydrogen bond and ionic HHe^(+).Although He atoms have no chemical bonding with other elements,they can supply a chemical pressure,leading to two new phases He2(HF)4 and He(HF).With coplanar(HF)_(4)rings,He_(2)(HF)_(4)have an aromaticity-like electronic behavior while He(HF)has a new type of chiral HF chain.The formation of He_(2)(HF)_(4)and He(HF)prove that the chemical pressure from He,on par with external pressure,have ability to control the structural and electronic configuration and induce some new familiars of compounds include H and He elements which are fundamental planetary materials in giant planets.
基金supported by the Fundamental Research Funds for the Central Universities(Grant No.010-63243095)the National Science Foundation of China(Grant Nos.92263101 and 12174200)。
文摘In the quasi-free electron model,the Fermi surface spreads into a sphere in the Brillouin zone,i.e.,the Fermi sphere.The Fermi sphere exists widely in metal systems,no matter whether the crystal is in a body-center cubic,face-center cubic,or hexagonal close-packed lattice.Here,we report a class of compounds stabilized at high pressure with Rubik’s cubic Fermi surface.
