Chemical tuning of band alignments for metal gate/high-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>κ</mml:mi></mml:math>oxide interfaces

Dong, Yufeng; Wang, S. J.; Feng, Yuan Ping; Huan, C. H. A.

doi:10.1103/physrevb.73.045302

Cited by 41 publications

(29 citation statements)

References 34 publications

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“…Thus the present less dependence of the SBH of the Si-terminated interface on the metal species should be caused by this kind of metallic features of the interfacial bond, which tends to reduce charge transfer or polarized distribution, resulting in the screening of large interface dipoles as referred as the screening by MIGS. 48) In other words, the Si-terminated interfaces seem to have features similar to metal/Si interfaces, where the SBH is known to have a smaller slope parameter in Eq. (1) in a similar manner.…”

Section: Migs Bpmentioning

confidence: 99%

“…By integrating the LDOS from the VBT to the Fermi level in each interface, one can estimate the quantity of occupied MIGS. 48) It is clear that the Si-terminated interface has more rich MIGS than the C-terminated interface in each metal system. Thus the present less dependence of the SBH of the Si-terminated interface on the metal species should be caused by this kind of metallic features of the interfacial bond, which tends to reduce charge transfer or polarized distribution, resulting in the screening of large interface dipoles as referred as the screening by MIGS.…”

Section: Migs Bpmentioning

confidence: 99%

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First-Principles Calculations of Schottky Barrier Heights of Monolayer Metal/6H-SiC{0001} Interfaces

et al. 2006

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Schottky barrier heights (SBHs) of monolayer metal/6H-SiC{0001} interfaces have been calculated by the first-principles projector augment-wave (PAW) method in order to examine the dependence on metal species as well as surface termination of SiC. Generally, p-type SBHs of the C-terminated (000-1) interfaces are smaller than those of the Si-terminated (0001) interfaces, because of the interface dipoles caused by substantial charge transfer. The SBHs of the Si-terminated interfaces range within a relatively narrow energy region without clear correlation with metal electronegativity, although those of the C-terminated interfaces show rather specific dependence on metal electronegativity except for systems with Fe and Co. The different dependence on the metal species for the Si-and C-terminated interfaces has been analyzed from the interface electronic structure as compared with previous theoretical models and experiments.

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Section: Migs Bpmentioning

confidence: 99%

Section: Migs Bpmentioning

confidence: 99%

First-Principles Calculations of Schottky Barrier Heights of Monolayer Metal/6H-SiC{0001} Interfaces

et al. 2006

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“…Compared with semiconductor/ metal interfaces, 12) systematic investigation of the SBH of such oxide/metal interfaces are rare. [13][14][15][16][17] In this paper, we deal with the SBH of the Al 2 O 3 (0001)/ Ni(111) interface, and examine the effects of interface stoichiometry. It is easy to construct O-rich (O-terminated), stoichiometric (Al-terminated), and Al-rich (double Al-layerterminated) Al 2 O 3 (0001)/metal interfaces by changing the interface atomic plane of the Al 2 O 3 (0001) surface.…”

Section: Introductionmentioning

confidence: 99%

Influence of Interface Structure on Schottky Barrier Heights of α-Al2O3(0001)/Ni(111) interfaces: A First-Principles Study

2006

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The Schottky barrier heights (SBH) for -Al 2 O 3 (0001)/Ni(111) interfaces have been examined using the first-principles pseudopotential method, and compared with our previous results of Al 2 O 3 (0001)/Cu(111) interfaces. Configurations with different rigid-body translations parallel to the interface for both the O-terminated and Al-terminated interfaces are examined to clarify the influence of the microscopic interfacial structure on the SBH. The averaged p-type value of the O-terminated interfaces is smaller than that of the Al-terminated interfaces, similar to the Al 2 O 3 /Cu interfaces, although the variation within each type of interface stoichiometry is also substantial. This indicates that the SBH depends on both the interface stoichiometry and the configuration, in contradiction with the conventional models, which can be explained by the different interface dipole associated with the charge transfer and configuration of each interface.

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“…[3][4][5][6][7] The work functions of metal gates need to be near the energies of the band edges of Si (about 4.10 eV and 5.10 eV for NMOS and PMOS, respectively). 8,9 Even though there is hardly a metal gate to meet this requirement well, the work function can be tuned by some effective methods. In experiments, the alloying of binary alloys has been successfully used to modulate the work functions.…”

Section: Introductionmentioning

confidence: 99%

“…In experiments, the alloying of binary alloys has been successfully used to modulate the work functions. [9][10][11] In theories, several strategies to tune the work function have been suggested. Park et al have found that the work functions of the NiAl and PtAl systems can be significantly affected by submonolayer of an overlying metal.…”

Section: Introductionmentioning

confidence: 99%

A novel spin modulation of work function for C adsorbed Cr/Fe(001) metal gate

Zhong¹,

Xu²,

Cheng³

et al. 2012

AIP Advances

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Work functions and magnetic moments of C adsorbed Cr/Fe(001) surfaces with different C coverages θ and magnetic alignments (parallel or antiparallel) between Cr and Fe atom moments are investigated using first-principles methods based on density functional theory. The calculated results reveal that the spin configuration plays a significant role in determining the work function of the systems. The work functions of the systems with parallel states are evidently larger than those with antiparallel states. Moreover, for θ≤0.5 ML, with increasing value of θ, the work function increases from 4.23 eV to 5.13 eV for antiparallel states and from 4.47 eV to 5.44 eV for parallel states. While for θ>0.5 ML, the work function decreases with increasing value of θ. It can be also found that, for θ≤0.5 ML, the smaller the Cr and Fe magnetic moments are, the lower the Fermi energy EF is and the larger the work functions of the systems are. Based on analysis and discussion, we conclude that the changes of the work functions and magnetic moments are mainly determined by those of Fermi level and density of state (DOS) induced by the spin polarization, the electron transfer and the surface structure. Our work strongly suggests that controlling the magnetic states is a promising way for modulating the work function of magnetic metal gate

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Chemical tuning of band alignments for metal gate/high-κoxide interfaces

Cited by 41 publications

References 34 publications

First-Principles Calculations of Schottky Barrier Heights of Monolayer Metal/6<I>H</I>-SiC{0001} Interfaces

First-Principles Calculations of Schottky Barrier Heights of Monolayer Metal/6<I>H</I>-SiC{0001} Interfaces

Influence of Interface Structure on Schottky Barrier Heights of α-Al<SUB>2</SUB>O<SUB>3</SUB>(0001)/Ni(111) interfaces: A First-Principles Study

A novel spin modulation of work function for C adsorbed Cr/Fe(001) metal gate

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Chemical tuning of band alignments for metal gate/high-κoxide interfaces

Cited by 41 publications

References 34 publications

First-Principles Calculations of Schottky Barrier Heights of Monolayer Metal/6<I>H</I>-SiC{0001} Interfaces

First-Principles Calculations of Schottky Barrier Heights of Monolayer Metal/6<I>H</I>-SiC{0001} Interfaces

Influence of Interface Structure on Schottky Barrier Heights of &alpha;-Al<SUB>2</SUB>O<SUB>3</SUB>(0001)/Ni(111) interfaces: A First-Principles Study

A novel spin modulation of work function for C adsorbed Cr/Fe(001) metal gate

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Influence of Interface Structure on Schottky Barrier Heights of α-Al<SUB>2</SUB>O<SUB>3</SUB>(0001)/Ni(111) interfaces: A First-Principles Study