Band-to-band transitions, selection rules, effective mass and exciton binding energy parameters in monoclinic \beta-Ga2O3

We employ an eigen polarization model including the description of direction dependent excitonic effects for rendering critical point structures within the dielectric function tensor of monoclinic \beta-Ga2O3 yielding a comprehensive analysis of generalized ellipsometry data obtained from 0.75 eV--9 eV. The eigen polarization model permits complete description of the dielectric response, and we obtain single-electron and excitonic band-to-band transition anisotropic critical point structure model parameters including their polarization eigenvectors within the monoclinic lattice. We compare our experimental analysis with results from density functional theory calculations performed using a recently proposed Gaussian-attenuation-Perdue-Burke-Ernzerhof hybrid density functional, and we present and discuss the order of the fundamental direct band-to-band transitions and their polarization selection rules, the electron and hole effective mass parameters for the three lowest band-to-band transitions, and their exciton binding energy parameters, in excellent agreement with our experimental results. We find that the effective masses for holes are highly anisotropic and correlate with the selection rules for the fundamental band-to-band transitions, where the observed transitions are polarized closely in the direction of the lowest hole effective mass for the valence band participating in the transition

Smart Power Devices and ICs Using GaAs and Wide and Extreme Bandgap Semiconductors

We evaluate and compare the performance and potential of GaAs and of wide and extreme bandgap semiconductors (SiC, GaN, Ga2O3, diamond), relative to silicon, for power electronics applications. We examine their device structures and associated materials/process technologies and selectively review the recent experimental demonstrations of high voltage power devices and IC structures of these semiconductors. We discuss the technical obstacles that still need to be addressed and overcome before large-scale commercialization commences

Electron effective mass in Sn-doped monoclinic single crystal β\beta-gallium oxide determined by mid-infrared optical Hall effect

The isotropic average conduction band minimum electron effective mass in Sn-doped monoclinic single crystal $\beta$-Ga$_2$O$_3$ is experimentally determined by mid-infrared optical Hall effect to be $(0.284\pm0.013)m_{0}$ combining investigations on ($010$) and ($\bar{2}01$) surface cuts. This result falls within the broad range of values predicted by theoretical calculations for undoped $\beta$-Ga$_2$O$_3$. The result is also comparable to recent density functional calculations using the Gaussian-attenuation-Perdue-Burke-Ernzerhof hybrid density functional, which predict an average effective mass of $0.267m_{0}$ (arXiv:1704.06711 [cond-mat.mtrl-sci]). Within our uncertainty limits we detect no anisotropy for the electron effective mass, which is consistent with most previous theoretical calculations. We discuss upper limits for possible anisotropy of the electron effective mass parameter from our experimental uncertainty limits, and we compare our findings with recent theoretical results

Band-to-Band Transitions, Selection Rules, Effective Mass, and Excitonic Contributions in Monoclinic β-Ga2O3

We employ an eigenpolarization model including the description of direction dependent excitonic effects for rendering critical point structures within the dielectric function tensor of monoclinic β-Ga2O3 yielding a comprehensive analysis of generalized ellipsometry data obtained from 0.75–9 eV. The eigenpolarization model permits complete description of the dielectric response. We obtain, for single-electron and excitonic band-to-band transitions, anisotropic critical point model parameters including their polarization vectors within the monoclinic lattice. We compare our experimental analysis with results from density functional theory calculations performed using the Gaussian-attenuation-Perdew-Burke-Ernzerhof hybrid density functional. We present and discuss the order of the fundamental direct band-to-band transitions and their polarization selection rules, the electron and hole effective mass parameters for the three lowest band-to-band transitions, and their excitonic contributions. We find that the effective masses for holes are highly anisotropic and correlate with the selection rules for the fundamental band-to-band transitions. The observed transitions are polarized close to the direction of the lowest hole effective mass for the valence band participating in the transition

Electron Entanglement via a Quantum Dot

This Letter presents a method of electron entanglement generation. The system under consideration is a single-level quantum dot with one input and two output leads. The leads are arranged such that the dot is empty, single electron tunneling is suppressed by energy conservation, and two-electron virtual co-tunneling is allowed. This yields a pure, non-local spin-singlet state at the output leads. Coulomb interaction is the nonlinearity essential for entanglement generation, and, in its absence, the singlet state vanishes. This type of electron entanglement is a four-wave mixing process analogous to the photon entanglement generated by a Chi-3 parametric amplifier.Comment: 4 page

Anisotropy, Phonon Modes, and Free Charge Carrier Parameters in Monoclinic β-Gallium Oxide Single Crystals

We derive a dielectric function tensor model approach to render the optical response of monoclinic and triclinic symmetry materials with multiple uncoupled infrared and far-infrared active modes. We apply our model approach to monoclinic β-Ga2O3 single-crystal samples. Surfaces cut under different angles from a bulk crystal, (010) and (2̅01), are investigated by generalized spectroscopic ellipsometry within infrared and far-infrared spectral regions. We determine the frequency dependence of 4 independent β-Ga2O3 Cartesian dielectric function tensor elements by matching large sets of experimental data using a point-by-point data inversion approach. From matching our monoclinic model to the obtained 4 dielectric function tensor components, we determine all infrared and far-infrared active transverse optic phonon modes with Au and Bu symmetry, and their eigenvectors within the monoclinic lattice. We find excellent agreement between our model results and results of density functional theory calculations. We derive and discuss the frequencies of longitudinal optical phonons in β-Ga2O3. We derive and report density and anisotropic mobility parameters of the free charge carriers within the tin-doped crystals. We discuss the occurrence of longitudinal phonon plasmon coupled modes in β-Ga2O3 and provide their frequencies and eigenvectors. We also discuss and present monoclinic dielectric constants for static electric fields and frequencies above the reststrahlen range, and we provide a generalization of the Lyddane-Sachs-Teller relation for monoclinic lattices with infrared and far-infrared active modes.We find that the generalized Lyddane-Sachs-Teller relation is fulfilled excellently for β-Ga2O3

P-type β-gallium oxide: A new perspective for power and optoelectronic devices

Wide-bandgap semiconductors (WBG) are expected to be applied to solid-state lighting and power devices, supporting a future energy-saving society. Here we present evidence of p-type conduction in the undoped WBG β-Ga2O3. Hole conduction, established by Hall and Seebeck measurements, is consistent with findings from photoemission and cathodoluminescence spectroscopies. The ionization energy of the acceptor level was measured to be 1.1eV above the valence band edge. The gallium vacancy was identified as a possible acceptor candidate based on thermodynamic equilibrium Ga2O3 (crystal) – O2 (gas) system calculations (Kroger theory) which revealed a window without oxygen vacancy compensation. The possibility of fabricating large diameter wafers of β-Ga2O3 of p and n type nature, provides new avenues for high power and deep UV-optoelectronic devices

First principles high throughput screening of oxynitrides for water-splitting photocatalysts

In this paper, we present a first principles high throughput screening system to search for new water-splitting photocatalysts. We use the approach to screen through nitrides and oxynitrides. Most of the known photocatalytic materials in the screened chemical space are reproduced. In addition, sixteen new materials are suggested by the screening approach as promising photocatalysts, including three binary nitrides, two ternary oxynitrides and eleven quaternary oxynitrides.United States. Dept. of Energy (contract DE-FG02-96ER4557)National Science Foundation (U.S.) (TeraGrid resources under Grant No. TG-DMR970008S)Pittsburgh Supercomputing CenterUniversity of Texas at Austin. Texas Advanced Computing CenterEni-MIT Solar Frontiers Cente