Si clusters are more metallic than bulk Si

نویسندگان
چکیده

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Novel Si-Ge-C Superlattices for “More than Moore” CMOS

The search for Silicon-based direct band-gap semiconductors is more relevant than ever for “More than Moore” CMOS. Monolithically-integrated novel crystalline materials are key to enabling increased performance and new functionalities, such as efficient light absorption and emission. Si-Ge-C SuperLattices [1] are highly ordered synthetic crystals having direct band-gaps and large oscillator str...

متن کامل

Structures and relative stability of medium- and large-sized silicon clusters. VI. Fullerene cage motifs for low-lying clusters Si(39), Si(40), Si(50), Si(60), Si(70), and Si(80).

We performed a constrained search, combined with density-functional theory optimization, of low-energy geometric structures of silicon clusters Si(39), Si(40), Si(50), Si(60), Si(70), and Si(80). We used fullerene cages as structural motifs to construct initial configurations of endohedral fullerene structures. For Si(39), we examined six endohedral fullerene structures using all six homolog C(...

متن کامل

Excitons in small hydrogenated Si clusters

The excitonic states of four small hydrogenated Si clusters (SiH4 ,Si2H6 ,Si5H12 , and Si10H16! are studied using the diffusion quantum Monte Carlo approach. The importance of using accurate guiding wave functions is stressed and we show that the quantum chemical singles-only configuration interaction method and the time-dependent density functional theory within the adiabatic local-density app...

متن کامل

Calculated polarizabilities of small Si clusters

The polarizabilities of Si clusters with 9 to 28 atoms are calculated using a density functional cluster method. The atomic geometries are based on those carefully optimized by energy minimization. The polarizability shows fairly irregular variation with cluster size, but all calculated values are higher than the polarizability of a dielectric sphere with bulk dielectric constant and equivalent...

متن کامل

Formation of metal-encapsulating Si cage clusters.

We report the formation of a series of metal-containing hydrogenated silicon clusters using an ion trap. Mass analyses reveal that many types of transition metal ions M(+) ( M = Hf, Ta, W, Re, Ir, etc.) react with silane (SiH4) to form dehydrogenated MSi( +)(n) cluster ions ( n = 14, 13, 12, 11, 9, respectively) as an end product, indicating that the metal atom is endohedral and stabilizes the ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: The Journal of Chemical Physics

سال: 2016

ISSN: 0021-9606,1089-7690

DOI: 10.1063/1.4972813