Theoretical study of barrier height to linearity of bent triatomic molecules

1997 ◽  
Vol 106 (10) ◽  
pp. 4022-4027 ◽  
Author(s):  
Jae Shin Lee
Keyword(s):  
Barrier Height ◽  
Theoretical Study ◽  
Triatomic Molecules

Origin of SMM behaviour in an asymmetric Er(iii) Schiff base complex: a combined experimental and theoretical study

2015 ◽  
Vol 51 (28) ◽  
pp. 6137-6140 ◽  
Author(s):  
Chinmoy Das ◽  
Apoorva Upadhyay ◽  
Shefali Vaidya ◽  
Saurabh Kumar Singh ◽  
Gopalan Rajaraman ◽  
...  
Keyword(s):  
Schiff Base ◽  
Barrier Height ◽  
Theoretical Study ◽  
Theoretical Calculations ◽  
Schiff Base Complex ◽  
Dipolar Interaction ◽  
Ligand Field ◽  
Base Complex

The importance of ligand field and origin of SMM behaviour of an asymmetric [ErIII(HL)2(NO3)3] complex investigated in detail which is strongly supported by theoretical calculations. Dipolar interaction in 1 significantly reduced upon dilution which increases the barrier height to 51.5 K.

scholarly journals Rovibrational interactions in linear triatomic molecules: a theoretical study in curvilinear vibrational coordinates

2012 ◽  
Vol 23 (5) ◽  
pp. 1425-1439 ◽  
Author(s):  
Leonid Shirkov ◽  
Tatiana Korona ◽  
Robert Moszynski
Keyword(s):  
Theoretical Study ◽  
Triatomic Molecules

scholarly journals Investigation, analysis and comparison of current-voltage characteristics for Au/Ni/GaN Schottky structure using I-V-T simulation

2019 ◽  
Vol 37 (3) ◽  
pp. 496-502 ◽  
Author(s):  
A. Sadoun ◽  
S. Mansouri ◽  
M. Chellali ◽  
N. Lakhdar ◽  
A. Hima ◽  
...  
Keyword(s):  
Experimental Data ◽  
Barrier Height ◽  
Theoretical Study ◽  
Series Resistance ◽  
Electrical Parameters ◽  
Current Voltage ◽  
Temperature Ranges ◽  
Current Voltage Characteristics ◽  
Schottky Structure ◽  
Good Agreement

AbstractIn this work, we have presented a theoretical study of Au/Ni/GaN Schottky diode based on current-voltage (I-V) measurement for temperature range of 120 K to 400 K. The electrical parameters of Au/Ni/GaN, such as barrier height (Φb), ideality factor and series resistance have been calculated employing the conventional current-voltage (I-V), Cheung and Chattopadhyay method. Also, the variation of Gaussian distribution (P (Φb)) as a function of barrier height (Φb) has been studied. Therefore, the modified ( {( {\ln \left( {{{{\rm{I}}_0 } \over {{\rm{T}}^2 }}} \right) - \left( {{{{\rm{q}}^2 \sigma _{{\rm{s}}0}^2 } \over {2{\rm{kT}}^2 }}} \right) = \ln ( {{\rm{AA}}^*} ) - {{{\rm{q}}\emptyset_{{\rm B}0} } \over {{\rm{kT}}}}} ){\rm{vs}}.( {{1 \over {{\rm{kT}}}}} )} ) relation has been extracted from (I-V) characteristics, where the values of ΦB0 and {\rm{A}}_{{\rm{Simul}}}^* have been found in different temperature ranges. The obtained results have been compared to the existing experimental data and a good agreement was found.

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