Automerization reaction of cyclobutadiene and its barrier height: Anab initiobenchmark multireference average-quadratic coupled cluster study

2006 ◽  
Vol 125 (6) ◽  
pp. 064310 ◽  
Author(s):  
Mirjana Eckert-Maksić ◽  
Mario Vazdar ◽  
Mario Barbatti ◽  
Hans Lischka ◽  
Zvonimir B. Maksić
Keyword(s):  
Barrier Height ◽  
Coupled Cluster

The relativistic coupled-cluster method: transition energies of bismuth and eka-bismuth

1998 ◽  
Vol 94 (1) ◽  
pp. 181-187 ◽  
Author(s):  
EPHRAIM ELIAV ◽  
UZI KALDOR ◽  
YASUYUKI ISHIKAWA
Keyword(s):  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Transition Energies

Adiabatic electron affinities of PF5 and SF6: a coupled-cluster study

1998 ◽  
Vol 94 (1) ◽  
pp. 121-125 ◽  
Author(s):  
Gennady GUTSEV ◽  
RODNEY BARTLETT
Keyword(s):  
Coupled Cluster ◽  
Electron Affinities

High Quality HfO2 Film and Its Applications in Novel Poly-Si Devices

2002 ◽  
Vol 716 ◽  
Author(s):  
K.L. Ng ◽  
N. Zhan ◽  
M.C. Poon ◽  
C.W. Kok ◽  
M. Chan ◽  
...  
Keyword(s):  
Barrier Height ◽  
Nonvolatile Memory ◽  
Dielectric Material ◽  
Tunneling Current ◽  
Interface Layer ◽  
Si Substrate ◽  
Hfo2 Film ◽  
Effective Barrier Height ◽  
Effective Barrier ◽  
Nonvolatile Memory Devices

AbstractHfO2 as a dielectric material in MOS capacitor by direct sputtering of Hf in an O2 ambient onto a Si substrate was studied. The results showed that the interface layer formed between HfO2 and the Si substrate was affected by the RTA time in the 500°C annealing temperature. Since the interface layer is mainly composed of hafnium silicate, and has high interface trap density, the effective barrier height is therefore lowered with increased RTA time. The change in the effective barrier height will affect the FN tunneling current and the operation of the MOS devices when it is applied for nonvolatile memory devices.

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