Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “InBi”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Controllable topological insulator phases in litharge-phase InBi monolayer

Despite recent advances of layered square-net topological material models that possess ideal semimetallic electronic structures and promising potential in material applications, the identification of experimentally accessible two-dimensional square-net materials with related topological properties has proven challenging. Due to the highly tunable physical and topological properties of III-V semiconductors, we revisit the class of III-V materials and observe that the litharge-phase InBi is a layered square-net material and can be exfoliated into the InBi monolayer. We present a comprehensive first-principles study of the energy landscape of the InBi monolayer. We identify a paraelastic phase and three ferroelastic phases and study their topological properties. Specifically, we show that the paraelastic InBi monolayer is a trivial insulator due to the orbital-ordering-induced band inversion occurring between states with the same parity. Substituting one Bi atom per cell with another V-group element (N, P, As) or applying an electric field that breaks the inversion symmetry and changes the orbital onsite energy, the paraelastic InBi monolayer can be driven into the topological insulator phase. Furthermore, one of the ferroelastic phases of pure InBi, which can be obtained by gently straining the paraelastic phase, also possesses such topological insulating properties. Furthermore, these results provide several experimentally accessible routes to tune the nontrivial topology in the InBi monolayer, including creating heterostructures with piezoelectric or ferroelectric substrates and applying mechanical strain, making the InBi monolayer an ideal platform to study the interplay of reduced dimensionality, square-net chemical bonding networks, and band topology.

2-dimensional systems↗
DOE OSTI2025

Planar Defect Layers Template a High-Pressure InBi Polymorph

The short- and long-range order of III–V materials under high pressure has long been the subject of debate, with advancements in structural characterization leading to significant revisions to the accepted structural models. Despite these revisions, previous high-pressure structural assignments in the In–Bi system include the site-disordered β-Sn structure type, a structure type demonstrated to be nonexistent in analogous III–V systems. While X-ray diffraction is consistent with site disordering in InBi at high pressure, cluster expansion calculations indicate that disordering requires temperatures above 3000 K. Here, we propose InBi as a model material for studying unique high-pressure planar defects due to its highly anisotropic stress-dependent properties and structure. Specifically, we identify two sets of planar defects that mimic the diffraction pattern of a site disordered β-Sn structure type and are compatible with the calculated disorder barrier. We derive these defects by symmetry relations over crystallographic transitions. Density functional theory calculations of the proposed defects suggest that these defects are stabilized by diminishing interlayer separations with pressure. Further, we find that one of the proposed defects closely resembles a bulk high-pressure phase of InBi, InBi-ϵ, and we assert that the proposed defects order upon heating, acting as a template for InBi-ϵ growth. The proposed defects and their electronic structure provide a basis for the trend of superconducting critical temperature with increasing pressure. These methods for identifying defects are generalizable to other materials with reports of site disorder at high pressure, prompting a broader search for related high-pressure defects.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Topological material in the III–V family: Heteroepitaxial InBi on InAs

InBi ( 0 0 1 ) is formed epitaxially on InAs ( 1 1 1 ) -A by depositing Bi onto an In-rich surface. Angle-resolved photoemission measurements reveal topological electronic surface states, close to the M ¯ high symmetry point. This demonstrates a heteroepitaxial system entirely in the III–V family with topological electronic properties. InBi shows coexistence of Bi and In surface terminations, in contradiction with other III–V materials. For the Bi termination, the study gives a consistent physical picture of the topological surface electronic structure of InBi ( 0 0 1 ) terminated by a Bi bilayer rather than a surface formed by splitting to a Bi monolayer termination. Theoretical calculations based on relativistic density functional theory and the one-step model of photoemission clarify the relationship between the InBi ( 0 0 1 ) surface termination and the topological surface states, supporting a predominant role of the Bi bilayer termination. Furthermore, a tight-binding model based on this Bi bilayer termination with only Bi–Bi hopping terms, and no Bi–In interaction, gives a deeper insight into the spin texture. Published by the American Physical Society 2024

Nicolaï, Laurent (ORCID:0000000277312673)↗
DOE OSTI2020

Materials Data on InBi by Materials Project

InBi is lead oxide structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one InBi sheet oriented in the (0, 0, 1) direction. In is bonded to four equivalent Bi atoms to form a mixture of edge and corner-sharing InBi4 tetrahedra. All In–Bi bond lengths are 3.18 Å. Bi is bonded in a 4-coordinate geometry to four equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InBi by Materials Project

InBi is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. In is bonded to four equivalent Bi atoms to form corner-sharing InBi4 tetrahedra. All In–Bi bond lengths are 2.97 Å. Bi is bonded to four equivalent In atoms to form corner-sharing BiIn4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InBi by Materials Project

InBi is Tetraauricupride structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. In is bonded to four equivalent In and eight equivalent Bi atoms to form InIn4Bi8 cuboctahedra that share corners with twelve equivalent InIn4Bi8 cuboctahedra, edges with eight equivalent InIn4Bi8 cuboctahedra, edges with sixteen equivalent BiIn8Bi4 cuboctahedra, faces with eight equivalent BiIn8Bi4 cuboctahedra, and faces with ten equivalent InIn4Bi8 cuboctahedra. All In–In bond lengths are 3.44 Å. There are four shorter (3.53 Å) and four longer (3.57 Å) In–Bi bond lengths. Bi is bonded to eight equivalent In and four equivalent Bi atoms to form BiIn8Bi4 cuboctahedra that share corners with twelve equivalent BiIn8Bi4 cuboctahedra, edges with eight equivalent BiIn8Bi4 cuboctahedra, edges with sixteen equivalent InIn4Bi8 cuboctahedra, faces with eight equivalent InIn4Bi8 cuboctahedra, and faces with ten equivalent BiIn8Bi4 cuboctahedra. All Bi–Bi bond lengths are 3.44 Å.

36 MATERIALS SCIENCE↗