Electrically Coupling Multifunctional Oxides to Semiconductors: A Route to Novel Material Functionalities

MRS Advances ◽  
2016 ◽  
Vol 1 (4) ◽  
pp. 255-263
Author(s):  
J. H. Ngai ◽  
K. Ahmadi-Majlan ◽  
J. Moghadam ◽  
M. Chrysler ◽  
D. P. Kumah ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Offset ◽  
Oxide Interface ◽  
Band Gap Engineering ◽  
Oxide Heterostructures ◽  
Crystalline Oxide ◽  
Novel Material ◽  
Epitaxial Heterostructures ◽  
Multifunctional Oxides ◽  
Crystalline Oxides

ABSTRACTComplex oxides and semiconductors exhibit distinct yet complementary properties owing to their respective ionic and covalent natures. By electrically coupling oxides to semiconductors within epitaxial heterostructures, enhanced or novel functionalities beyond those of the constituent materials can potentially be realized. Key to electrically coupling oxides to semiconductors is controlling the physical and electronic structure of semiconductor – crystalline oxide heterostructures. Here we discuss how composition of the oxide can be manipulated to control physical and electronic structure in Ba1-xSrxTiO3/ Ge and SrZrxTi1-xO3/Ge heterostructures. In the case of the former we discuss how strain can be engineered through composition to enable the re-orientable ferroelectric polarization to be coupled to carriers in the semiconductor. In the case of the latter we discuss how composition can be exploited to control the band offset at the semiconductor - oxide interface. The ability to control the band offset, i.e. band-gap engineering, provides a pathway to electrically couple crystalline oxides to semiconductors to realize a host of functionalities.

scholarly journals Band-Gap Engineering at a Semiconductor-Crystalline Oxide Interface

2015 ◽  
Vol 2 (4) ◽  
pp. 1400497 ◽  
Author(s):  
Mohammadreza Jahangir-Moghadam ◽  
Kamyar Ahmadi-Majlan ◽  
Xuan Shen ◽  
Timothy Droubay ◽  
Mark Bowden ◽  
...  
Keyword(s):  
Band Gap ◽  
Oxide Interface ◽  
Band Gap Engineering ◽  
Crystalline Oxide

scholarly journals Band-Gap Engineering: Band-Gap Engineering at a Semiconductor-Crystalline Oxide Interface (Adv. Mater. Interfaces 4/2015)

2015 ◽  
Vol 2 (4) ◽  
Author(s):  
Mohammadreza Jahangir-Moghadam ◽  
Kamyar Ahmadi-Majlan ◽  
Xuan Shen ◽  
Timothy Droubay ◽  
Mark Bowden ◽  
...  
Keyword(s):  
Band Gap ◽  
Oxide Interface ◽  
Band Gap Engineering ◽  
Crystalline Oxide

Electronic structure engineering of tin telluride through co-doping of bismuth and indium for high performance thermoelectrics: a synergistic effect leading to a record high room temperature ZT in tin telluride

2019 ◽  
Vol 7 (16) ◽  
pp. 4817-4821 ◽  
Author(s):  
U. Sandhya Shenoy ◽  
D. Krishna Bhat
Keyword(s):  
Electronic Structure ◽  
Synergistic Effect ◽  
Band Gap ◽  
High Performance ◽  
Room Temperature ◽  
Band Offset ◽  
Valence Band Offset ◽  
Co Doping ◽  
Tin Telluride ◽  
Structure Engineering

Resonance states due to Bi and In co-doping, band gap enlargement, and a reduced valence-band offset in SnTe lead to a record high room-temperature ZT.

scholarly journals DFT Study of the Electronic Structure of Cubic-SiC Nanopores with a C-Terminated Surface

2014 ◽  
Vol 2014 ◽  
pp. 1-7 ◽  
Author(s):  
M. Calvino ◽  
A. Trejo ◽  
M. I. Iturrios ◽  
M. C. Crisóstomo ◽  
Eliel Carvajal ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Density Functional ◽  
Surface Passivation ◽  
Phase Changes ◽  
Surface Relaxation ◽  
Oh Radicals ◽  
Functional Theory ◽  
Band Gap Engineering ◽  
Chemical Surface

A study of the dependence of the electronic structure and energetic stability on the chemical surface passivation of cubic porous silicon carbide (pSiC) was performed using density functional theory (DFT) and the supercell technique. The pores were modeled by removing atoms in the [001] direction to produce a surface chemistry composed of only carbon atoms (C-phase). Changes in the electronic states of the porous structures were studied by using different passivation schemes: one with hydrogen (H) atoms and the others gradually replacing pairs of H atoms with oxygen (O) atoms, fluorine (F) atoms, and hydroxide (OH) radicals. The results indicate that the band gap behavior of the C-phase pSiC depends on the number of passivation agents (other than H) per supercell. The band gap decreased with an increasing number of F, O, or OH radical groups. Furthermore, the influence of the passivation of the pSiC on its surface relaxation and the differences in such parameters as bond lengths, bond angles, and cell volume are compared between all surfaces. The results indicate the possibility of nanostructure band gap engineering based on SiC via surface passivation agents.

Electronic structure and photocatalytic band offset of few-layer GeP2

2017 ◽  
Vol 5 (42) ◽  
pp. 22146-22155 ◽  
Author(s):  
Fazel Shojaei ◽  
Jae Ryang Hahn ◽  
Hong Seok Kang
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Structure Prediction ◽  
Prediction Method ◽  
Group Iv ◽  
Band Offset ◽  
Two Dimensional ◽  
Crystal Structure Prediction ◽  
T Phase ◽  
Structure Prediction Method

Based on a sophisticated crystal structure prediction method, we propose two-dimensional (2D) GeP2in the tetragonal (T) phase never observed for other group IV–V compounds.

Single crystal growth and the electronic structure of orthorhombic Tl3PbBr5: A novel material for non-linear optics

2013 ◽  
Vol 35 (5) ◽  
pp. 1081-1089 ◽  
Author(s):  
O.Y. Khyzhun ◽  
V.L. Bekenev ◽  
O.V. Parasyuk ◽  
S.P. Danylchuk ◽  
N.M. Denysyuk ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Crystal Growth ◽  
Single Crystal ◽  
Single Crystal Growth ◽  
Linear Optics ◽  
Non Linear Optics ◽  
Non Linear ◽  
Novel Material

Role of Metal-Oxide Interface in Determining the Spin Polarization of Magnetic Tunnel Junctions

Science ◽  
1999 ◽  
Vol 286 (5439) ◽  
pp. 507-509 ◽  
Author(s):  
Jose Maria De Teresa ◽  
Agnès Barthélémy ◽  
Albert Fert ◽  
Jean Pierre Contour ◽  
François Montaigne ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Metal Oxide ◽  
Spin Polarization ◽  
Tunnel Junctions ◽  
Magnetic Tunnel Junctions ◽  
Ferromagnetic Transition ◽  
Oxide Interface ◽  
Oxide Interfaces ◽  
Structure Of Metal

The role of the metal-oxide interface in determining the spin polarization of electrons tunneling from or into ferromagnetic transition metals in magnetic tunnel junctions is reported. The spin polarization of cobalt in tunnel junctions with an alumina barrier is positive, but it is negative when the barrier is strontium titanate or cerium lanthanite. The results are ascribed to bonding effects at the transition metal–barrier interface. The influence of the electronic structure of metal-oxide interfaces on the spin polarization raises interesting fundamental problems and opens new ways to optimize the magnetoresistance of tunnel junctions.

scholarly journals The effect of a Ta oxygen scavenger layer on HfO2-based resistive switching behavior: thermodynamic stability, electronic structure, and low-bias transport

2016 ◽  
Vol 18 (10) ◽  
pp. 7502-7510 ◽  
Author(s):  
Xiaoliang Zhong ◽  
Ivan Rungger ◽  
Peter Zapol ◽  
Hisao Nakamura ◽  
Yoshihiro Asai ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Resistive Switching ◽  
Thermodynamic Stability ◽  
First Principles ◽  
Switching Behavior ◽  
Oxygen Scavenger ◽  
Resistive Switching Behavior ◽  
Oxide Heterostructures

First-principles modeling shows how resistive switching in oxide heterostructures is improved by inserting an “oxygen scavenger” layer.

Atomic and electronic structure of theFe3O4(111)∕MgO(111)model polar oxide interface

2005 ◽  
Vol 72 (19) ◽  
Author(s):  
V. K. Lazarov ◽  
M. Weinert ◽  
S. A. Chambers ◽  
M. Gajdardziska-Josifovska
Keyword(s):  
Electronic Structure ◽  
Oxide Interface ◽  
Polar Oxide ◽  
Atomic And Electronic Structure
Sign in / Sign up

Export Citation Format

Share Document