Accumulation Hole Layer in p-GaN/AlGaN Heterostructures

We present the results on piezoelectric and pyroelectricdoping in AlGaN-on-GaN and GaN-on-AlGaN heterostructures and demonstrate p-GaN/AlGaN structures with accumulation hole layer. Our results indicate that polarization charge can induce up to 5×1013 cm−2 holes at the AlGaN/GaN heterointerfaces. We show that the transition from three-dimensional (3D) to two-dimensional (2D) hole gas can be only achieved for hole sheet densities on the order of 1013 cm−2 or higher. At lower densities, only 3D-hole accumulation layer may exist. These results suggest that a piezoelectrically induced 2D-hole gas can be used for the reduction of the base spreading resistance in AlGaN/GaN-based heterostructurebipolar transistors

Spontaneous polarization and piezoelectric constants of III-V nitrides

The spontaneous polarization, dynamical Born charges, and piezoelectric constants of the III-V nitrides AlN, GaN, and InN are studied ab initio using the Berry phase approach to polarization in solids. The piezoelectric constants are found to be up 10 times larger than in conventional III-V's and II-VI's, and comparable to those of ZnO. Further properties at variance with those of conventional III-V compounds are the sign of the piezoelectric constants (positive as in II-VI's) and the very large spontaneous polarization.Comment: RevTeX 4 pages, improved upon revie

Brain ageing in schizophrenia: evidence from 26 international cohorts via the ENIGMA Schizophrenia consortium

Schizophrenia (SZ) is associated with an increased risk of life-long cognitive impairments, age-related chronic disease, and premature mortality. We investigated evidence for advanced brain ageing in adult SZ patients, and whether this was associated with clinical characteristics in a prospective meta-analytic study conducted by the ENIGMA Schizophrenia Working Group. The study included data from 26 cohorts worldwide, with a total of 2803 SZ patients (mean age 34.2 years; range 18-72 years; 67% male) and 2598 healthy controls (mean age 33.8 years, range 18-73 years, 55% male). Brain-predicted age was individually estimated using a model trained on independent data based on 68 measures of cortical thickness and surface area, 7 subcortical volumes, lateral ventricular volumes and total intracranial volume, all derived from T1-weighted brain magnetic resonance imaging (MRI) scans. Deviations from a healthy brain ageing trajectory were assessed by the difference between brain-predicted age and chronological age (brain-predicted age difference [brain-PAD]). On average, SZ patients showed a higher brain-PAD of +3.55 years (95% CI: 2.91, 4.19; I2 = 57.53%) compared to controls, after adjusting for age, sex and site (Cohen's d = 0.48). Among SZ patients, brain-PAD was not associated with specific clinical characteristics (age of onset, duration of illness, symptom severity, or antipsychotic use and dose). This large-scale collaborative study suggests advanced structural brain ageing in SZ. Longitudinal studies of SZ and a range of mental and somatic health outcomes will help to further evaluate the clinical implications of increased brain-PAD and its ability to be influenced by interventions

Effects of Bound Water Molecules on Molecular Vibrations

We investigate effects of bound water molecules on optical phonon vibrations that occur at frequencies as low as the terahertz (THz) region (300 GHz-10 THz) with both spectroscopy and molecular dynamics simulation

Experimental and Theoretical Study of Strong Low-Terahertz Absorption of Thymine

The absorption coefficient of a nucleobase-thymine-in powder form was measured with terahertz spectroscopy in both frequency- and time-domain experiments. For frequencies below 3 THz, a strong signature was observed at 1.27 THz. Furthermore, molecular-dynamic simulations were conducted to reveal that the 1.27 THz absorption signature is related to a transverse optical phonon mode. The simulations also indicated that bound water molecules are vital to the vibrational mode

Experimental and Theoretical Study of Strong Low-Terahertz Absorption of Thymine

The absorption coefficient of a nucleobase-thymine-in powder form was measured with terahertz spectroscopy in both frequency- and time-domain experiments. For frequencies below 3 THz, a strong signature was observed at 1.27 THz. Furthermore, molecular-dynamic simulations were conducted to reveal that the 1.27 THz absorption signature is related to a transverse optical phonon mode. The simulations also indicated that bound water molecules are vital to the vibrational mode

Experimental and Theoretical Study of Strong Low-Terahertz Absorption of Thymine

The absorption coefficient of a nucleobase-thymine-in powder form was measured with terahertz spectroscopy in both frequency- and time-domain experiments. For frequencies below 3 THz, a strong signature was observed at 1.27 THz. Furthermore, molecular-dynamic simulations were conducted to reveal that the 1.27 THz absorption signature is related to a transverse optical phonon mode. The simulations also indicated that bound water molecules are vital to the vibrational mode

Spectroscopic Sensing of Opioids in the THz Region

We present a study of the THz electromagnetic signatures of a few opioid drugs by computer modeling and experiments. Oxycodone and Vicodin display vibrational absorption resonances between ~1.4 and 1.6 THz. Molecular dynamics simulations predict that fentanyl should also display THz resonances with several of them occurring below 1.0 THz