Aluminum nitride (AlN) is a popular buffer layer and interlayer. The understanding of how AlN serves as a wetting and fracturemitigating layer relies on molecular pictures of the AlN layer and the interfaces. However, molecular dynamics (MD) simulation studies on AlN system, particularly on its wurtzite phase, have been limited. This is because most existing interatomic force fields of AlN target the less common zinc blende phase. Here, we report a new Tersoff-based AlN force field for its wurtzite structure. This potential has been extensively tested in terms of lattice parameters, bulk modulus, cohesive energy, and heat capacity. In addition, thermal expansion coefficient (TEC) of wurtzite AlN, a key property to precisely model heterostructures, has been calculated using MD method. The value of 2.66 Â 10 À6 K À1 calculated at 300 K for TEC is in excellent agreement with the reported experimental value.
Four types of AlGaN/GaN high electron mobility transistor (HEMT) structures have been epitaxially grown on Si substrates by metalorganic chemical vapor deposition (MOCVD) and fabricated into devices. To achieve crack-free device structures, various stress-engineering methods have been employed including the use of AlGaN/AlGaN-graded layers, insertion of low-temperature AlN layers and ion implantation of the AlN/Si substrate. To improve material quality, pulsed MOCVD is used to enhance adatom diffusion length during (Al) GaN epitaxy of various layers in the HEMT structure. A comparison between structural and morphological characteristics of the HEMTs shows improvement in the (0 0 0 2) symmetric rocking curve value to 837.9 s −1 and the surface roughness of 0.21 nm for HEMT structures grown using pulsed epitaxy. An OFF-state breakdown voltage of 217 V at a drain current of 1 mA mm −1 at Vg = −8 V was measured for the structure with enhanced material quality.
We report on a novel GaN photocathode structure that eliminates the use of Cs for photocathode activation. Development of such a photocathode structure promises reduced cost and complexity of the device, potentially with stable operation for a longer time. Device simulation studies suggest that deposition of Si delta-doped GaN on p-GaN templates induces sharp downward energy band bending at the surface, assisting in achieving effective negative electron affinity for GaN photocathodes without the use of Cs. A series of experiments has been performed to optimize the quality of the Si delta-doped layer to minimize the emission threshold of the device. This report includes significant observations relating the dependence of device properties such as emission threshold, quantum efficiency, and surface morphology on the Si incorporation in the Si delta-doped layer. An optimum Si incorporation has been observed to provide the minimum emission threshold of 4.1 eV for the discussed Cs-free GaN photocathodes. Photoemission (PE), atomic force microscopy (AFM), and secondary-ion mass spectroscopy (SIMS) have been performed to study the effect of growth conditions on device performance.
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