Density Functional Theory Simulations and Experimental Measurements of a-HfO2/a-Si3N4/SiGe, a-HfO2/SiO0.8N0.8/SiGe and a-HfO2/a-SiO/SiGe interfaces.

被引：0
作者：
Chagarov, E. [1 ]
Sardashti, K. [1 ]
Edmonds, M. [1 ]
Clemons, M. [1 ]
Kummel, A. [1 ]
机构：
[1] Univ Calif San Diego, La Jolla, CA 92093 USA
来源：
2016 IEEE INTERNATIONAL ELECTRON DEVICES MEETING (IEDM) | 2016年
关键词：
INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; PASSIVATION;
D O I：
暂无
中图分类号：
TM [电工技术]; TN [电子技术、通信技术];
学科分类号：
0808 ; 0809 ;
摘要：
A comprehensive set of density functional theory (DFT) molecular dynamics (MD) simulations is presented for interfaces between a-HfO2 high-K oxide and 5i(0.5)Ge(0.5)(001) with several amorphous stoichiometric and substoichiometric SiOxNy interlayers (a-SiO0.8N0.8, a-SiO0.4N0.4, a-Si3N2, a-Si3N4 and a-SiO) to determine their electrical passivation properties. In general the sub-stoichiometric interlayers had superior electrical properties because they minimized Ge-O and Ge-N bond formation and had low internal bond strain. The stack with oxygen deficient a-SiO interlayer demonstrated superior electric properties because it avoided all dangling bond formation. Experimental studies confirmed that a sub-stiochiometric SiON layer decreases the defects density of HfO2(001)/Si0.5Ge0.5(001) MOSCAPs.
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页数：4
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