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8 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

The kinetics of the Au-InP interaction

An analysis of the reaction of Au and Au-In alloys with InP has permitted the identification of the mechanisms occurring during the first two stages of the Au-InP interaction. The first stage of the interaction, during which the Au is converted to a saturated Au (In) solution, is controlled by the vacancy-generation rate at the free surface of the metallization. The activation energy for this process is the activation energy for Au self-diffusion. Evidence is presented for the existence of large localized variations in this value due to surface related effects. At the completion of stage I stage II becomes active and continues until the metallization is converted to Au3In. This process, proceeding via an interstitial interchange mechanism, is many orders of magnitude slower than stage I. The rate-limiting step, with an activation energy of 2.8 eV, is shown to be the diffusion of In from the InP-metal interface. The P atoms that are released when In enters the metallization during stage I leave the system without reacting, whereas in stage II they form a compound (Au2P3) at the InP-metal interface. The presence of the Au2P3 severely retards the stage II interaction rate.

Fatemi, Navid S.↗
DOE OSTI2020

Materials Data on In2Au by Materials Project

AuIn2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Au–In bond lengths are 2.90 Å. In is bonded to four equivalent Au atoms to form a mixture of edge and corner-sharing InAu4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In3Au10 by Materials Project

Au10In3 is beta Cu3Ti-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are ten inequivalent Au+0.70- sites. In the first Au+0.70- site, Au+0.70- is bonded to eight Au+0.70- and four In+2.33+ atoms to form distorted AuIn4Au8 cuboctahedra that share corners with five InAu12 cuboctahedra, corners with fifteen AuIn4Au8 cuboctahedra, edges with five InAu12 cuboctahedra, edges with eleven AuIn4Au6 cuboctahedra, faces with four InAu12 cuboctahedra, and faces with sixteen AuIn4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.96–3.06 Å. There are three shorter (2.98 Å) and one longer (3.10 Å) Au–In bond lengths. In the second Au+0.70- site, Au+0.70- is bonded to eight Au+0.70- and four In+2.33+ atoms to form distorted AuIn4Au8 cuboctahedra that share corners with five InAu12 cuboctahedra, corners with fifteen AuIn4Au8 cuboctahedra, edges with five InAu12 cuboctahedra, edges with eleven AuIn4Au6 cuboctahedra, faces with four InAu12 cuboctahedra, and faces with sixteen AuIn4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.97–3.06 Å. There are a spread of Au–In bond distances ranging from 2.98–3.10 Å. In the third Au+0.70- site, Au+0.70- is bonded to eight Au+0.70- and four In+2.33+ atoms to form distorted AuIn4Au8 cuboctahedra that share corners with five InAu12 cuboctahedra, corners with fifteen AuIn4Au8 cuboctahedra, edges with five InAu12 cuboctahedra, edges with eleven AuIn4Au6 cuboctahedra, faces with four InAu12 cuboctahedra, and faces with sixteen AuIn4Au8 cuboctahedra. There are one shorter (3.02 Å) and one longer (3.06 Å) Au–Au bond lengths. There are three shorter (2.98 Å) and one longer (3.10 Å) Au–In bond lengths. In the fourth Au+0.70- site, Au+0.70- is bonded to six Au+0.70- and four In+2.33+ atoms to form distorted AuIn4Au6 cuboctahedra that share corners with five InAu12 cuboctahedra, corners with thirteen AuIn4Au8 cuboctahedra, edges with two InAu12 cuboctahedra, edges with sixteen AuIn4Au8 cuboctahedra, faces with three InAu12 cuboctahedra, and faces with thirteen AuIn4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.96–3.05 Å. There are a spread of Au–In bond distances ranging from 2.97–3.03 Å. In the fifth Au+0.70- site, Au+0.70- is bonded to six Au+0.70- and four In+2.33+ atoms to form distorted AuIn4Au6 cuboctahedra that share corners with five InAu12 cuboctahedra, corners with thirteen AuIn4Au8 cuboctahedra, edges with two InAu12 cuboctahedra, edges with sixteen AuIn4Au8 cuboctahedra, faces with three InAu12 cuboctahedra, and faces with thirteen AuIn4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.96–3.05 Å. There are a spread of Au–In bond distances ranging from 2.97–3.02 Å. In the sixth Au+0.70- site, Au+0.70- is bonded to six Au+0.70- and four In+2.33+ atoms to form distorted AuIn4Au6 cuboctahedra that share corners with five InAu12 cuboctahedra, corners with thirteen AuIn4Au8 cuboctahedra, edges with two InAu12 cuboctahedra, edges with sixteen AuIn4Au8 cuboctahedra, faces with three InAu12 cuboctahedra, and faces with thirteen AuIn4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.96–3.04 Å. There are a spread of Au–In bond distances ranging from 2.97–3.03 Å. In the seventh Au+0.70- site, Au+0.70- is bonded to nine Au+0.70- and three In+2.33+ atoms to form distorted AuIn3Au9 cuboctahedra that share corners with four InAu12 cuboctahedra, corners with twelve AuIn4Au8 cuboctahedra, edges with four InAu12 cuboctahedra, edges with fifteen AuIn4Au8 cuboctahedra, faces with five InAu12 cuboctahedra, and faces with fourteen AuIn4Au8 cuboctahedra. There are two shorter (2.96 Å) and two longer (3.01 Å) Au–Au bond lengths. There are two shorter (2.96 Å) and one longer (3.05 Å) Au–In bond lengths. In the eighth Au+0.70- site, Au+0.70- is bonded to nine Au+0.70- and three In+2.33+ atoms to form distorted AuIn3Au9 cuboctahedra that share corners with four InAu12 cuboctahedra, corners with twelve AuIn4Au8 cuboctahedra, edges with four InAu12 cuboctahedra, edges with fifteen AuIn4Au8 cuboctahedra, faces with five InAu12 cuboctahedra, and faces with fourteen AuIn4Au8 cuboctahedra. There are two shorter (2.96 Å) and one longer (3.01 Å) Au–Au bond lengths. There are two shorter (2.96 Å) and one longer (3.04 Å) Au–In bond lengths. In the ninth Au+0.70- site, Au+0.70- is bonded to nine Au+0.70- and three In+2.33+ atoms to form distorted AuIn3Au9 cuboctahedra that share corners with four InAu12 cuboctahedra, corners with twelve AuIn4Au8 cuboctahedra, edges with four InAu12 cuboctahedra, edges with fifteen AuIn4Au8 cuboctahedra, faces with five InAu12 cuboctahedra, and faces with fourteen AuIn4Au8 cuboctahedra. Both Au–Au bond lengths are 2.96 Å. There are two shorter (2.96 Å) and one longer (3.05 Å) Au–In bond lengths. In the tenth Au+0.70- site, Au+0.70- is bonded to nine Au+0.70- and three In+2.33+ atoms to form distorted AuIn3Au9 cuboctahedra that share corners with six InAu12 cuboctahedra, corners with twelve AuIn4Au8 cuboctahedra, edges with six InAu12 cuboctahedra, edges with twelve AuIn4Au8 cuboctahedra, faces with three InAu12 cuboctahedra, and faces with seventeen AuIn4Au6 cuboctahedra. All Au–In bond lengths are 3.00 Å. There are three inequivalent In+2.33+ sites. In the first In+2.33+ site, In+2.33+ is bonded to twelve Au+0.70- atoms to form InAu12 cuboctahedra that share corners with two InAu12 cuboctahedra, corners with sixteen AuIn4Au8 cuboctahedra, edges with four InAu12 cuboctahedra, edges with thirteen AuIn4Au8 cuboctahedra, faces with six InAu12 cuboctahedra, and faces with thirteen AuIn4Au8 cuboctahedra. In the second In+2.33+ site, In+2.33+ is bonded to twelve Au+0.70- atoms to form InAu12 cuboctahedra that share corners with two InAu12 cuboctahedra, corners with sixteen AuIn4Au8 cuboctahedra, edges with four InAu12 cuboctahedra, edges with thirteen AuIn4Au8 cuboctahedra, faces with six InAu12 cuboctahedra, and faces with thirteen AuIn4Au8 cuboctahedra. In the third In+2.33+ site, In+2.33+ is bonded to twelve Au+0.70- atoms to form InAu12 cuboctahedra that share corners with two InAu12 cuboctahedra, corners with sixteen AuIn4Au8 cuboctahedra, edges with four InAu12 cuboctahedra, edges with thirteen AuIn4Au8 cuboctahedra, faces with six InAu12 cuboctahedra, and faces with thirteen AuIn4Au8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InAu3 by Materials Project

Au3In is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted see-saw-like geometry to eight equivalent Au1- and four equivalent In3+ atoms. There are four shorter (2.97 Å) and four longer (3.07 Å) Au–Au bond lengths. There are two shorter (2.92 Å) and two longer (3.02 Å) Au–In bond lengths. In the second Au1- site, Au1- is bonded to eight Au1- and four equivalent In3+ atoms to form distorted AuIn4Au8 cuboctahedra that share corners with four equivalent InAu12 cuboctahedra, corners with ten equivalent AuIn4Au8 cuboctahedra, edges with six equivalent AuIn4Au8 cuboctahedra, edges with six equivalent InAu12 cuboctahedra, faces with four equivalent InAu12 cuboctahedra, and faces with twelve equivalent AuIn4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.90–3.02 Å. There are a spread of Au–In bond distances ranging from 2.96–3.09 Å. In3+ is bonded to twelve Au1- atoms to form InAu12 cuboctahedra that share corners with two equivalent InAu12 cuboctahedra, corners with eight equivalent AuIn4Au8 cuboctahedra, edges with six equivalent InAu12 cuboctahedra, edges with twelve equivalent AuIn4Au8 cuboctahedra, faces with six equivalent InAu12 cuboctahedra, and faces with eight equivalent AuIn4Au8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In4Au9 by Materials Project

Au9In4 is gamma-brass-like structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are six inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 5-coordinate geometry to four Au1- and five In+2.25+ atoms. There are a spread of Au–Au bond distances ranging from 2.85–3.22 Å. There are a spread of Au–In bond distances ranging from 2.87–3.02 Å. In the second Au1- site, Au1- is bonded in a 4-coordinate geometry to seven Au1- and six In+2.25+ atoms. There are one shorter (2.80 Å) and two longer (3.08 Å) Au–Au bond lengths. There are a spread of Au–In bond distances ranging from 2.91–3.26 Å. In the third Au1- site, Au1- is bonded in a 7-coordinate geometry to nine Au1- and four equivalent In+2.25+ atoms. There are a spread of Au–Au bond distances ranging from 2.80–3.12 Å. All Au–In bond lengths are 3.18 Å. In the fourth Au1- site, Au1- is bonded in a 12-coordinate geometry to three equivalent Au1- and six In+2.25+ atoms. All Au–In bond lengths are 2.99 Å. In the fifth Au1- site, Au1- is bonded in a 3-coordinate geometry to three equivalent Au1- and three equivalent In+2.25+ atoms. All Au–In bond lengths are 2.94 Å. In the sixth Au1- site, Au1- is bonded in a distorted trigonal planar geometry to three equivalent Au1- and three equivalent In+2.25+ atoms. All Au–In bond lengths are 2.87 Å. There are two inequivalent In+2.25+ sites. In the first In+2.25+ site, In+2.25+ is bonded in a 9-coordinate geometry to nine Au1- atoms. In the second In+2.25+ site, In+2.25+ is bonded in a 11-coordinate geometry to eleven Au1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In3Au by Materials Project

AuIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Au is bonded to twelve In atoms to form AuIn12 cuboctahedra that share corners with four equivalent AuIn12 cuboctahedra, edges with eight equivalent AuIn12 cuboctahedra, edges with sixteen equivalent InIn8Au4 cuboctahedra, faces with four equivalent AuIn12 cuboctahedra, and faces with eight equivalent InIn8Au4 cuboctahedra. There are four shorter (3.16 Å) and eight longer (3.30 Å) Au–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Au and eight In atoms to form distorted InIn8Au4 cuboctahedra that share corners with twelve equivalent InIn8Au4 cuboctahedra, edges with eight equivalent AuIn12 cuboctahedra, edges with eight equivalent InIn8Au4 cuboctahedra, faces with four equivalent AuIn12 cuboctahedra, and faces with ten equivalent InIn8Au4 cuboctahedra. There are four shorter (3.16 Å) and four longer (3.30 Å) In–In bond lengths. In the second In site, In is bonded in a square co-planar geometry to four equivalent Au and eight equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In2Au3 by Materials Project

Au3In2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 8-coordinate geometry to three equivalent Au1- and five equivalent In+1.50+ atoms. All Au–Au bond lengths are 2.92 Å. There are a spread of Au–In bond distances ranging from 2.82–2.94 Å. In the second Au1- site, Au1- is bonded to six equivalent Au1- and six equivalent In+1.50+ atoms to form face-sharing AuIn6Au6 cuboctahedra. All Au–In bond lengths are 3.31 Å. In+1.50+ is bonded in a 5-coordinate geometry to eight Au1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InAu3 by Materials Project

Au3In crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to twelve Au1- atoms to form a mixture of edge, corner, and face-sharing AuAu12 cuboctahedra. There are six shorter (2.92 Å) and six longer (3.16 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded in a 12-coordinate geometry to three equivalent Au1- and three equivalent In3+ atoms. All Au–In bond lengths are 2.90 Å. In3+ is bonded in a 6-coordinate geometry to six equivalent Au1- atoms.

36 MATERIALS SCIENCE↗