scholarly journals The External Electric Field-Induced Tunability of the Schottky Barrier Height in Graphene/AlN Interface: A Study by First-Principles

Nanomaterials ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 1794
Author(s):  
Xuefei Liu ◽  
Zhaocai Zhang ◽  
Bing Lv ◽  
Zhao Ding ◽  
Zijiang Luo
Keyword(s):  
Electric Field ◽  
Schottky Barrier ◽  
External Electric Field ◽  
Barrier Height ◽  
Density Functional ◽  
Schottky Barrier Height ◽  
Schottky Contact ◽  
Valence Band Maximum ◽  
Charge Analysis ◽  
P Type

Graphene-based van der Waals (vdW) heterojunction plays an important role in next-generation optoelectronics, nanoelectronics, and spintronics devices. The tunability of the Schottky barrier height (SBH) is beneficial for improving device performance, especially for the contact resistance. Herein, we investigated the electronic structure and interfacial characteristics of the graphene/AlN interface based on density functional theory. The results show that the intrinsic electronic properties of graphene changed slightly after contact. In contrast, the valence band maximum of AlN changed significantly due to the hybridization of Cp and Np orbital electrons. The Bader charge analysis showed that the electrons would transfer from AlN to graphene, implying that graphene would induce acceptor states. Additionally, the Schottky contact nature can be effectively tuned by the external electric field, and it will be tuned from the p-type into n-type once the electric field is larger than about 0.5 V/Å. Furthermore, the optical absorption of graphene/AlN is enhanced after contact. Our findings imply that the SBH is controllable, which is highly desirable in nano-electronic devices.

Theoretical investigation of Pt monosilicide and several germanides: electronic structure, surface energetics, and work functions

2006 ◽  
Vol 980 ◽  
Author(s):  
Manish K. Niranjan ◽  
Leonard Kleinman ◽  
Alexander A. Demkov
Keyword(s):  
Electronic Structure ◽  
Schottky Barrier ◽  
Barrier Height ◽  
Density Functional ◽  
Schottky Barrier Height ◽  
Cmos Technology ◽  
Growth Conditions ◽  
Structure Surface ◽  
Work Functions ◽  
P Type

AbstractWe present a theoretical study of the electronic structure, surface energies and work functions of orthorhombic Pt monosilicide and germanides of Pt, Ni, Y and Hf within the framework of density functional theory (DFT). Our calculated bulk structures are within 1-2% of reported experimental values. Calculated work functsions for the (001) surfaces of PtSi, NiGe and PtGe are 5.12, 4.57 and 4.83 eV, respectively, suggesting that these metals and their alloys can be used as self-aligned contacts to p-type silicon and germanium. Work functions for Y and Hf germanides range from 2.4 to 4.3 eV making them a possible n-type contact material. In addition, we also report an ab-initio calculation of the Schottky-barrier height at the Si(001)/PtSi(001) interface. The p-type Schottky barrier height of 0.28 eV is found in good agreement with predictions of a simple metal induced gap states (MIGS) theory and available experiment. This low barrier suggests PtSi as a low contact resistance junction metal for silicon CMOS technology. We identify the growth conditions necessary to stabilize this orientation.

Tuning the Schottky barrier height in a multiferroic In2Se3/Fe3GeTe2 van der Waals heterojunction

Nanoscale ◽  
2021 ◽  
Author(s):  
Maria Javaid ◽  
Patrick David Taylor ◽  
Sherif Abdulkader Tawfik ◽  
Michelle Jeanette Sapountzis Spencer
Keyword(s):  
Density Functional Theory ◽  
Electronic Properties ◽  
Schottky Barrier ◽  
Barrier Height ◽  
Density Functional ◽  
Schottky Barrier Height ◽  
Van Der Waals ◽  
Ferroelectric Material ◽  
Functional Theory ◽  
Significant Interest

The ferroelectric material In2Se3 is currently of significant interest due to its built-in polarisation characteristics that can significantly modulate its electronic properties. Here we employ density functional theory to determine...

Schottky Barrier Height andS-Parameter of Ti, Cu, Pd, and Pt Contacts on p-Type GaN

2012 ◽  
Vol 51 (9S2) ◽  
pp. 09MK01 ◽  
Author(s):  
Youngjun Park ◽  
Kwang-Soon Ahn ◽  
Hyunsoo Kim
Keyword(s):  
Schottky Barrier ◽  
Barrier Height ◽  
Schottky Barrier Height ◽  
P Type

scholarly journals Tunable Electronic Properties of Graphene/g-AlN Heterostructure: The Effect of Vacancy and Strain Engineering

Nanomaterials ◽  
2019 ◽  
Vol 9 (12) ◽  
pp. 1674 ◽  
Author(s):  
Xuefei Liu ◽  
Zhaofu Zhang ◽  
Zijiang Luo ◽  
Bing Lv ◽  
Zhao Ding
Keyword(s):  
Electronic Properties ◽  
Schottky Barrier ◽  
Barrier Height ◽  
Tensile Strain ◽  
Schottky Barrier Height ◽  
Strain Engineering ◽  
Nitrogen Vacancy ◽  
First Principles Calculation ◽  
Type Contact ◽  
P Type

The structural and electronic properties of graphene/graphene-like Aluminum Nitrides monolayer (Gr/g-AlN) heterojunction with and without vacancies are systematically investigated by first-principles calculation. The results prove that Gr/g-AlN with nitrogen-vacancy (Gr/g-AlN-VN) is energy favorable with the smallest sublayer distance and binding energy. Gr/g-AlN-VN is nonmagnetic, like that in the pristine Gr/g-AlN structure, but it is different from the situation of g-AlN-VN, where a magnetic moment of 1 μB is observed. The metallic graphene acts as an electron acceptor in the Gr/g-AlN-VN and donor in Gr/g-AlN and Gr/g-AlN-VAl contacts. Schottky barrier height Φ B , n by traditional (hybrid) functional of Gr/g-AlN, Gr/g-AlN-VAl, and Gr/g-AlN-VN are calculated as 2.35 (3.69), 2.77 (3.23), and 1.10 (0.98) eV, respectively, showing that vacancies can effectively modulate the Schottky barrier height. Additionally, the biaxial strain engineering is conducted to modulate the heterojunction contact properties. The pristine Gr/g-AlN, which is a p-type Schottky contact under strain-free condition, would transform to an n-type contact when 10% compressive strain is applied. Ohmic contact is formed under a larger tensile strain. Furthermore, 7.5% tensile strain would tune the Gr/g-AlN-VN from n-type to p-type contact. These plentiful tunable natures would provide valuable guidance in fabricating nanoelectronics devices based on Gr/g-AlN heterojunctions.

Electronic transport and Schottky barrier height of Ni contact on p-type GaN

2008 ◽  
Vol 41 (9) ◽  
pp. 095107 ◽  
Author(s):  
Yow-Jon Lin ◽  
Ching-Ting Lee ◽  
Shih-Sheng Chang ◽  
Hsing-Cheng Chang
Keyword(s):  
Schottky Barrier ◽  
Barrier Height ◽  
Electronic Transport ◽  
Schottky Barrier Height ◽  
P Type

Evaluation of Schottky Barrier Height of Al, Ti, Au ,and Ni Contacts to 3C-SiC

2006 ◽  
Vol 527-529 ◽  
pp. 923-926 ◽  
Author(s):  
Masataka Satoh ◽  
H. Matsuo
Keyword(s):  
Work Function ◽  
Schottky Barrier ◽  
Barrier Height ◽  
Crystal Orientation ◽  
Schottky Barrier Height ◽  
Donor Concentration ◽  
Metal Contacts ◽  
Acceptor Concentration ◽  
Small Change ◽  
P Type

The Schottky barrier height (SBH) of Al, Ti, Au, and Ni contacts to n- and p-type 3C-SiC is investigated by means of I-V and C-V measurements. All metal contacts to n- (net donor concentration: 1.0 x 1016 /cm3) and p-type (net acceptor concentration: 4 x 1016 /cm3) 3C-SiC show the rectifying I-V characteristics except for Al contact to n-type 3C-SiC. Only Al contact to n-type 3C-SiC shows the ohmic characteristics. As the work function of metal is increased from 4.3 (Ti) to 5.2 (Ni) eV, SBH for n-type 3C-SiC is increased from 0.4 to 0.7 eV and SBH for p-type 3C-SiC is decreased from 2.2 to 1.8 eV. The small change of SBH for 3C-SiC may be correlated to the crystal orientation and the defects on the surface of 3C-SiC.

Sign in / Sign up

Export Citation Format

Share Document