Local dielectric permittivity of HfO2 based slabs and stacks: A first principles study
作者： N. Shi , R. Ramprasad
DOI: 10.1063/1.2822834
关键词:
摘要: A recently developed theory of atomic-scale local dielectric permittivity has been used to determine the position dependent optical and static profiles a few nanoscale HfO2 Si–HfO2 heterojunction slabs. The constants at interior regions each component recovered their respective bulk values. Enhancement constant free surfaces its variations interface could be correlated corresponding surface interfacial chemistry.
scitation.org
aip.org
sci-hub.se 参考文章(23)
Connstantine A. Balanis, Advanced engineering electromagnetics ,(1989)
Richard M. Martin, Electronic Structure: Basic Theory and Practical Methods ,(2004)
Eric Cockayne, Influence of oxygen vacancies on the dielectric properties of hafnia : First-principles calculations Physical Review B. ,vol. 75, pp. 094103- ,(2007) , 10.1103/PHYSREVB.75.094103
Xinyuan Zhao, David Vanderbilt, Phonons and lattice dielectric properties of zirconia. Physical Review B. ,vol. 65, pp. 075105- ,(2002) , 10.1103/PHYSREVB.65.075105
A.A. Demkov, Investigating Alternative Gate Dielectrics: A Theoretical Approach Physica Status Solidi B-basic Solid State Physics. ,vol. 226, pp. 57- 67 ,(2001) , 10.1002/1521-3951(200107)226:1<57::AID-PSSB57>3.0.CO;2-L
R. K. Nahar, Vikram Singh, Aparna Sharma, Study of electrical and microstructure properties of high dielectric hafnium oxide thin film for MOS devices Journal of Materials Science: Materials in Electronics. ,vol. 18, pp. 615- 619 ,(2007) , 10.1007/S10854-006-9111-6
N. Shi, R. Ramprasad, Dielectric properties of ultrathin SiO2 slabs Applied Physics Letters. ,vol. 87, pp. 262102- ,(2005) , 10.1063/1.2150584
N. Shi, R. Ramprasad, Atomic-scale dielectric permittivity profiles in slabs and multilayers Physical Review B. ,vol. 74, pp. 045318- ,(2006) , 10.1103/PHYSREVB.74.045318
R. Ramprasad, N. Shi, Dielectric properties of nanoscale Hf O 2 slabs Physical Review B. ,vol. 72, pp. 052107- ,(2005) , 10.1103/PHYSREVB.72.052107
G.-M. Rignanese, X. Gonze, Gyuchang Jun, Kyeongjae Cho, Alfredo Pasquarello, First-principles investigation of high- κ dielectrics: Comparison between the silicates and oxides of hafnium and zirconium Physical Review B. ,vol. 69, pp. 184301- ,(2004) , 10.1103/PHYSREVB.69.184301