Thermodynamics of inversion-domain boundaries in aluminum nitride: Interplay between interface energy and electric dipole potential energy

2018 ◽  
Vol 123 (17) ◽  
pp. 175301
Author(s):  
J. Y. Zhang ◽  
Y. P. Xie ◽  
H. B. Guo ◽  
Y. G. Chen
1989 ◽  
Vol 167 ◽  
Author(s):  
Alistair D. Westwood ◽  
Michael R. Notis

AbstractThe microstructure and microchemistry of planar and curved defects in Aluminum Nitride (AIN) has been investigated using Conventional Transmission Electron Microscopy (CTEM), Convergent Beam Electron Diffraction (CBED), and Analytical Electron Microscopy (AEM) techniques. Both defect morphologies were identified as Inversion Domain Boundaries (IDB). Microchemical analysis revealed oxygen segregation to the planar faults; when present on the curved defects, oxygen was at a lower concentration than in the planar defect case. Annealing experiments on defect containing AIN support our microchemical analysis of oxygen segregation. A proposed model for the formation of these two types of boundaries is presented.


1989 ◽  
Vol 167 ◽  
Author(s):  
R. A. Youngman ◽  
J. H. Harris ◽  
P. A. Labun ◽  
R. J. Graham ◽  
J. K. Weiss

AbstractAluminum nitride is known to have a large affinity for oxygen as an impurity. At high levels (>∼4 wt/o) the oxygen is incorporated in the form of planar stacking faults where “pure” 2H AIN is regularly interspersed with a layer of oxygen at the faults. At oxygen levels lower than ∼ 4 wt/o the structure shows an expanded c-axis. The present authors have not observed this effect, rather a random distribution of stacking faults is observed along with another, more prevalent, extended defect identified as an inversion domain boundary (IDB). The IDBs are significantly aplanar (indicating a low interface energy), and often have precipitates and other, faceted defects associated with them. The role of these defects in oxygen accommodation in AIN has been investigated both structurally and chemically by electron optical methods (SEM, TEM, STEM, HREM, CBED, EDS, EELS, and CL-TEM). The structural nature of the boundaries, in the absence of oxygen, requires Al-Al or N-N bonding to occur with some frequency across the boundary. Such bonding is unlikely due to the excess energy required. Chemical analysis (EELS) and luminescence studies (CL-TEM) reveal that oxygen is often associated with the boundaries and may mediate the bonding at the boundary. A model is proposed for the IDB which includes structural aspects combined with considerations of stoichiometry in an effort to understand the origin and energetics of this defect.


1994 ◽  
Vol 357 ◽  
Author(s):  
J. Bruley ◽  
A.D. Westwood ◽  
R. A. Youngman ◽  
J.-C. Zhao ◽  
M.R. Notis

AbstractSpatially resolved electron energy loss spectroscopy analysis has been conducted on planar inversion domain boundaries in aluminum nitride. The defects were found to contain 1.5 monolayers of oxygen, in agreement with the most recent structural model of Westwood. From variations in near-edge structure, the local atomic environments of both oxygen and aluminum are compared with α-A1203, γ-A1203 and γ-AION standards. Based upon this study the stnrcture of the inversion domain boundary is found to resemble that of the cubic γ-AION spinel, and eliminates from consideration those structural models based upon ai-Al203. Furthermore, quantification of the shape resonances provided Al-O bond-length data from the inversion domain boundary interface. These distances closely agree with the Youngman Model that has recently been further refined by Westwood et al.


1995 ◽  
Vol 10 (10) ◽  
pp. 2573-2585 ◽  
Author(s):  
Alistair D. Westwoord ◽  
Robert A. Youngman ◽  
Martha R. McCartney ◽  
Alasiair N. Cormack ◽  
Michael R. Notis

This paper extends the concepts that were developed to explain the structural rearrangement of the wurtzite AlN lattice due to incorporation of small amounts of oxygen, and to directly use them to assist in understanding the polytypoid structures. Conventional and high-resolution transmission electron microscopy, specific electron diffraction experiments, and atomistic computer simulations have been used to investigate the structural nature of the polytypoids. The experimental observations provide compelling evidence that polytypoid structures are not arrays of stacking faults, but are rather arrays of inversion domain boundaries (IDB's). A new model for the polytypoid structure is proposed with the basic repeat structural unit consisting of a planar IDB-P and a corrugated IDB. This model shares common structural elements with the model proposed by Thompson, even though in his model the polytypoids were described as consisting of stacking faults. Small additions (≃ 1000 ppm) of silicon were observed to have a dramatic effect on the polytypoid structure. First, it appears that the addition of Si causes the creation of a new variant of the planar IDB (termed IDB-P'), different from the IDB-P defect observed in the AlN-Al2O3 polytypoids; second, the addition of Si influences the structure of the corrugated IDB, such that it appears to become planar.


1995 ◽  
Vol 10 (5) ◽  
pp. 1287-1300 ◽  
Author(s):  
Alistair D. Westwood ◽  
Robert A. Youngman ◽  
Martha R. McCartney ◽  
Alastair N. Cormack ◽  
Michael R. Notis

Three distinct morphologies of curved (curved, facetted, and corrugated) inversion domain boundaries (IDB's), observed in aluminum nitride, have been investigated using conventional transmission electron microscopy, convergent beam electron diffraction, high-resolution transmission electron microscopy, analytical electron microscopy, and atomistic computer simulations. The interfacial structure and chemistry of the curved and facetted defects have been studied, and based upon the experimental evidence, a single model has been proposed for the curved IDB which is consistent with all three observed morphologies. The interface model comprises a continuous nitrogen sublattice, with the aluminum sublattice being displaced across a {1011} plane, and having a displacement vector R = 0.23〈0001〉. This displacement translates the aluminum sublattice from upwardly pointing to downwardly pointing tetrahedral sites, or vice versa, in the wurtzite structure. The measured value of the displacement vector is between 0.05〈0001〉 and 0.43〈0001〉; the variation is believed to be due to local changes in chemistry. This is supported by atomistic calculations which indicate that the interface is most stable when both aluminum vacancies and oxygen ions are present at the interface, and that the interface energy is independent of displacement vector in the range of 0.05〈0001〉 to 0.35〈0001〉. The curved IDB's form as a result of nonstoichiometry within the crystal. The choice of curved IDB morphology is believed to be controlled by local changes in chemistry, nonstoichiometry at the interface, and proximity to other planar IDB's (the last reason is explained in Part III). A number of possible formation mechanisms are discussed for both planar and curved IDB's. The Burgers vector for the dislocation present at the intersection of the planar and curved IDB's was determined to be b = 1/3〈1010〉 + t〈0001〉, where tmeas = 0.157 and tcalc = 0.164.


2021 ◽  
Vol 103 (16) ◽  
Author(s):  
M. M. F. Umar ◽  
Jorge O. Sofo

2000 ◽  
Vol 639 ◽  
Author(s):  
Philomela Komninou ◽  
Joseph Kioseoglou ◽  
Eirini Sarigiannidou ◽  
George P. Dimitrakopulos ◽  
Thomas Kehagias ◽  
...  

ABSTRACTThe interaction of growth intrinsic stacking faults with inversion domain boundaries in GaN epitaxial layers is studied by high resolution electron microscopy. It is observed that stacking faults may mediate a structural transformation of inversion domain boundaries, from the low energy types, known as IDB boundaries, to the high energy ones, known as Holt-type boundaries. Such interactions may be attributed to the different growth rates of adjacent domains of inverse polarity.


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