Spontaneous ionization of hydrogen atoms at the Si-SiO2 interface -: art. no. 125318

被引:10
|
作者
Edwards, AH
Schultz, PA
Hjalmarson, HP
机构
[1] USAF, Res Lab, Space Vehicles Directorate, Kirtland AFB, NM 87117 USA
[2] Sandia Natl Labs, Computat Mat & Mol Biol Dept, Albuquerque, NM 87185 USA
关键词
D O I
10.1103/PhysRevB.69.125318
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present a series of electronic structure calculations that demonstrate a mechanism for spontaneous ionization of hydrogen at the Si-SiO2 interface. Specifically, we show that an isolated neutral hydrogen atom will spontaneously give up its charge and bond to a threefold coordinated oxygen atom. We refer to this entity as a proton. We have calculated the potential surface and found it to be entirely attractive. In contrast, hydrogen molecules will not undergo an analogous reaction. We relate these calculations both to proton generation experiments and to hydrogen plasma experiments.
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页数:7
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