Bonding and structure of some high‐<i>k</i> oxide:Si interfaces

Robertson, John; Peacock, P. W.

doi:10.1002/pssb.200404939

Cited by 27 publications

(19 citation statements)

References 27 publications

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“…The electronic exchange correlation potential is given in the initial calculations by the PBE generalised gradient approximation (GGA) version of LDA. This has been successfully used for high-K oxides and their interfaces [36][37][38][39].…”

Section: Methodsmentioning

confidence: 98%

Defect energy states in high‐K gate oxides

Xiong

Robertson²,

Clark

2006

Physica Status Solidi (b)

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PACS 71.15.Mb, 71.55.HtThe electrical energy levels of the different charge states of the oxygen vacancy and the oxygen interstitial in HfO 2 are calculated, using density functional methods which do not need a band gap correction. Lattice distortions around the defect sites produce substantial shifts in the energy levels. The energy levels are aligned to those of the Si channel. In HfO 2 , the oxygen vacancy gives an energy level in the Si gap or just above the gap, depending on its charge state. The O vacancy is identified as the main electrically active defect and trap. The oxygen interstitial gives levels just above the oxide valence band, and the neutral interstitial also gives a level near the Si conduction band. The defect wavefunctions are given.

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Section: Methodsmentioning

confidence: 98%

Defect energy states in high‐K gate oxides

Xiong

Robertson²,

Clark

2006

Physica Status Solidi (b)

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“…For example, hafnia has a relatively high dielectric constant as compared to Si 3 N 4 and Al 2 O 3 ; high free energy of reaction with Si (47.6 kcal/mole at 727°C) as compared to TiO 2 and Ta 2 O 5 ; larger bandgap ($5.7 eV) than most of the other high-j contenders [130]. A lot of investigations on the material properties and applications of ZrO 2 and HfO 2 have been conducted recently [16,[139][140][141][142][143][144][145][146][147][148][149][150][151][152][153][154][155][156]117,[157][158][159][160][161][162][163][164][165][166][167]. Table 5 summarizes the major material, technological, and electrical characteristics of hafnia and zirconia.…”

Section: Choice Of High-j Materialsmentioning

confidence: 99%

On the scaling issues and high-κ replacement of ultrathin gate dielectrics for nanoscale MOS transistors

Wong

Iwai

2006

Microelectronic Engineering

350

184

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“…It is useful to consider epitaxial oxide systems in order to understand the bonding principles in more detail [90][91][92][93][94][95]. We choose the Si:ZrO 2 system because it is a reasonably well lattice-matched interface and it has (when Y doped) the high symmetry cubic lattice.…”

Section: Interfacial Bondingmentioning

confidence: 99%

“…We have carried out detailed total energy pseudopotential, local density approximation (LDA) calculations of various atomic models of (100) interfaces to test these ideas [90,92]. Some of the interfaces are shown in Figures 28 and 29.…”

Section: Interfacial Bondingmentioning

confidence: 99%

High dielectric constant oxides

Robertson

2004

Eur. Phys. J. Appl. Phys.

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1,531

828

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Abstract. The scaling of complementary metal oxide semiconductor (CMOS) transistors has led to the silicon dioxide layer used as a gate dielectric becoming so thin (1.4 nm) that its leakage current is too large. It is necessary to replace the SiO2 with a physically thicker layer of oxides of higher dielectric constant (κ) or 'high K' gate oxides such as hafnium oxide and hafnium silicate. Little was known about such oxides, and it was soon found that in many respects they have inferior electronic properties to SiO2, such as a tendency to crystallise and a high concentration of electronic defects. Intensive research is underway to develop these oxides into new high quality electronic materials. This review covers the choice of oxides, their structural and metallurgical behaviour, atomic diffusion, their deposition, interface structure and reactions, their electronic structure, bonding, band offsets, mobility degradation, flat band voltage shifts and electronic defects. The use of high K oxides in capacitors of dynamic random access memories is also covered. PACS

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Bonding and structure of some high‐k oxide:Si interfaces

Cited by 27 publications

References 27 publications

Defect energy states in high‐K gate oxides

Defect energy states in high‐K gate oxides

On the scaling issues and high-κ replacement of ultrathin gate dielectrics for nanoscale MOS transistors

High dielectric constant oxides

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