Costel Constantin

Metal/semiconductor phase transition in chromium nitride(001) grown by rf-plasma-assisted molecular-beam epitaxy

Structural and electronic properties of stoichiometric single-phase CrN(001) thin films grown on MgO(001) substrates by radio-frequency N plasma-assisted molecular-beam epitaxy, are investigated. In situ room-temperature scanning tunneling microscopy clearly shows the 1×1 atomic periodicity of the crystal structure as well as long-range topographic distortions which are characteristic of a semiconductor surface. This semiconductor behavior is consistent with ex situ resistivity measurements over the range 285 K and higher, whereas below 260 K, metallic behavior is observed. The resistivity-derived band gap for the high-temperature region, 71 meV, is consistent with the tunneling spectroscopy results. The observed electronic (semiconductor/metal) transition temperature coincides with the temperature of the known coincident magnetic (para-antiferro) and structural (cubic-orthorhombic) phase transitions.

Composition-dependent structural properties in ScGaN alloy films: A combined experimental and theoretical study

Experimental and theoretical results are presented regarding the incorporation of scandium into wurtzite GaN. Variation of the a and c lattice constants with Sc fraction in the low Sc concentration regime (0%–17%) are found that can be well explained by the predictions of first-principles theory. The calculations allow a statistical analysis of the variations of the bond lengths and bond angles as functions of Sc concentration. The results are compared to predictions from both a prior experimental study [Constantin et al., Phys. Rev. B 70, 193309 (2004)] and a prior theoretical study [Farrer and Bellaiche et al. Phys. Rev. B 66, 201203(R) (2002)]. It is found that the ScGaN lattice can be very well modeled as being wurtzitelike but with local lattice distortions arising from the incorporation of the Sc atoms. Effects of the addition of Sc on the stacking order for a large Sc fraction is also studied by high resolution transmission electron microscopy. The results show the existence of stacking faults, and...

ScGaN alloy growth by molecular beam epitaxy: Evidence for a metastable layered hexagonal phase

Alloy formation in ScGaN is explored using rf molecular beam epitaxy over the Sc fraction range x=0-100%. Optical and structural analysis show separate regimes of growth, namely (I) wurtzitelike but having local lattice distortions in the vicinity of the Sc{sub Ga} substitutions for small x (x{ =}0.54). In regimes I and III, the direct optical transition decreases approximately linearly with increasing x but with an offset over region II. Importantly, it is found that for regime I, an anisotropic lattice expansion occurs with increasing x in which a increases much more than c. These observations support the prediction of Farrer and Bellaiche [Phys. Rev. B 66, 201203-1 (2002)] of a metastable layered hexagonal phase of ScN, denoted h-ScN.

Ga/N flux ratio influence on Mn incorporation, surface morphology, and lattice polarity during radio frequency molecular beam epitaxy of (Ga,Mn)N

The effect of the Ga/N flux ratio on the Mn incorporation, surface morphology, and lattice polarity during growth by rf molecular beam epitaxy of (Ga,Mn)N at a sample temperature of 550 °C is presented. Three regimes of growth, N-rich, metal-rich, and Ga-rich, are clearly distinguished by reflection high-energy electron diffraction and atomic force microscopy. Using energy dispersive x-ray spectroscopy, it is found that Mn incorporation occurs only for N-rich and metal-rich conditions. For these conditions, although x-ray diffraction in third order does not reveal any significant peak splitting or broadening, Rutherford backscattering clearly shows that Mn is not only incorporated but also substitutional on the Ga sites. Hence, we conclude that a MnxGa1−xN alloy is formed (in this case x∼5%), but there is no observable change in the c-axis lattice constant. We also find that the surface morphology is dramatically improved when growth is just slightly metal rich. When growth is highly metal-rich, but not G...

Protein Thermal Conductivity Measured in the Solid State Reveals Anharmonic Interactions of Vibrations in a Fractal Structure

Energy processes and vibrations in biological macromolecules such as proteins ultimately dictate biological, chemical, and physical functions in living materials. These energetic vibrations in the ribbon-like motifs of proteins interact on self-similar structures and fractal-like objects over a range of length scales of the protein (a few angstroms to the size of the protein itself, a few nanometers). In fact, the fractal geometries of protein molecules create a complex network of vibrations; therefore, proteins represent an ideal material system to study the underlying mechanisms driving vibrational thermal transport in a dense, fractal network. However, experimental studies of thermal energy transport in proteins have been limited to dispersive protein suspensions, which limits the knowledge that can be extracted about how vibrational energy is transferred in a pure protein solid. We overcome this by synthesizing solid, water-insoluble protein films for thermal conductivity measurements via time-domain thermoreflectance. We measure the thermal conductivity of bovine serum albumin and myoglobin solid films over a range of temperatures from 77 to 296 K. These temperature trends indicate that anharmonic coupling of vibrations in the protein is contributing to thermal conductivity. This first-ever observation of anharmonic-like trends in the thermal conductivity of a fully dense protein forms the basis of validation of seminal theories of vibrational energy-transfer processes in fractal objects.

Mixing Rocksalt and Wurtzite Structure Binary Nitrides to Form Novel Ternary Alloys: ScGaN and MnGaN

Combination of tetrahedral and octahedral based nitrides are explored. The two cases of MnGaN and ScGaN with low Mn and Sc fractions are examined. It is found that for the MnGaN case, the Mn is incorporated under N rich conditions with little lattice change. However, for the ScGaN case, the Sc is incorporated onto the Ga sites but with a local bond angle distortion.

Proximity-induced magnetism in transition-metal substituted graphene

We investigate the interactions between two identical magnetic impurities substituted into a graphene superlattice. Using a first-principles approach, we calculate the electronic and magnetic properties for transition-metal substituted graphene systems with varying spatial separation. These calculations are compared for three different magnetic impurities, manganese, chromium, and vanadium. We determine the electronic band structure, density of states, and Millikan populations (magnetic moment) for each atom, as well as calculate the exchange parameter between the two magnetic atoms as a function of spatial separation. We find that the presence of magnetic impurities establishes a distinct magnetic moment in the graphene lattice, where the interactions are highly dependent on the spatial and magnetic characteristic between the magnetic and carbon atoms, which leads to either ferromagnetic or antiferromagnetic behavior. Furthermore, through an analysis of the calculated exchange energies and partial density of states, it is determined that interactions between the magnetic atoms can be classified as an RKKY interaction.

Thermal boundary conductance across metal-gallium nitride interfaces from 80 to 450 K

Thermal boundary conductance is of critical importance to gallium nitride (GaN)-based device performance. While the GaN-substrate interface has been well studied, insufficient attention has been paid to the metal contacts in the device. In this work, we measure the thermal boundary conductance across interfaces of Au, Al, and Au-Ti contact layers and GaN. We show that in these basic systems, metal-GaN interfaces can impose a thermal resistance similar to that of GaN-substrate interfaces. We also show that these thermal resistances decrease with increasing operating temperature and can be greatly affected by inclusion of a thin adhesion layers.

Size effects in the thermal conductivity of gallium oxide (β-Ga2O3) films grown via open-atmosphere annealing of gallium nitride

Gallium nitride (GaN) is a widely used semiconductor for high frequency and high power devices due to of its unique electrical properties: a wide band gap, high breakdown field, and high electron mobility. However, thermal management has become a limiting factor regarding efficiency, lifetime, and advancement of GaN devices and GaN-based applications. In this work, we study the thermal conductivity of beta-phase gallium oxide (β-Ga2O3) thin films, a component of typical gate oxides used in such devices. We use time domain thermoreflectance to measure the thermal conductivity of a variety of polycrystalline β-Ga2O3 films of different thicknesses grown via open atmosphere annealing of the surfaces of GaN films on sapphire substrates. We show that the measured effective thermal conductivity of these β-Ga2O3 films can span 1.5 orders of magnitude, increasing with an increased film thickness, which is indicative of the relatively large intrinsic thermal conductivity of the β-Ga2O3 grown via this technique (8.8...

Surface reconstructions of cubic gallium nitride (001) grown by radio frequency nitrogen plasma molecular beam epitaxy under gallium-rich conditions

Cubic GaN has been grown under gallium (Ga)-rich growth conditions using radio frequency nitrogen plasma molecular beam epitaxy on MgO(001) substrates. Reflection high energy electron diffraction patterns indicate the smoothness of the c-GaN surface and show 2× and even 8× periodicities after the growth at sample temperature Ts<200°C and 1×1 at higher temperatures. Scanning tunneling microscopy images reveal a sequence of variant surface reconstructions including c(4×12), 4×7, c(4×16), 4×9, c(4×20), and 4×11. These variant reconstructions correspond to slightly different Ga adatom coverages all less than 1∕4 ML, with 4×11 having the highest, and c(4×12) the lowest Ga coverage. The electronic properties of these six variant reconstructions are investigated, and they are found to have a metallic nature.