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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

The stress state in bismuth to 298 GPa and its use as a pressure transmitting medium and pressure marker at multi-megabar pressures

We have conducted diffraction studies of bismuth (Bi) to 298 GPa using both conventional and toroidal diamond anvil cells (DACs) to investigate its suitability as a pressure-transmitting medium (PTM) to such pressures. Using microfocused x-ray beams, we have determined the pressure dependence of the uniaxial stress component (⁠t⁠) in cubic Bi-V from 7 to 298 GPa and find that at 298 GPa, t < 0.5 GPa. Bi-V, therefore, cannot support significant shear stresses, making it an excellent PTM. We have also measured the compressibility of Bi-V against that of copper (Cu) and gold (Au), allowing it to be used as a pressure marker as well as a PTM.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Melting temperature of bismuth to 55 GPa using synchrotron X-ray phase contrast imaging

The melting temperature of elemental bismuth under high pressure has been measured to 55 GPa using synchrotron X-ray phase-contrast imaging in the laser-heated diamond anvil cell. Imaging of solid-liquid interface formation, combined with radiometric temperature and X-ray diffraction measurements, reveals a pronounced reduction in melting boundary slope in Bi-V with pressure. The unusually steep initial slope is attributed to low configurational entropy of melting, arising from structural ordering and coordination matching in the cool liquid, while slope reduction is driven by entropy increase correlated with significant liquid structure changes with rising pressure and temperature. Finally, the data rule out kinetic effects on melting in shock compression experiments and demonstrate the need for improved theoretical phase diagrams.

Materials science↗
DOE OSTI2020

Materials Data on V4Bi23 by Materials Project

V4Bi23 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent V sites. In the first V site, V is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of V–Bi bond distances ranging from 3.05–3.58 Å. In the second V site, V is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of V–Bi bond distances ranging from 3.03–3.63 Å. In the third V site, V is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of V–Bi bond distances ranging from 2.96–3.21 Å. In the fourth V site, V is bonded in a 9-coordinate geometry to ten Bi atoms. There are a spread of V–Bi bond distances ranging from 3.05–3.79 Å. In the fifth V site, V is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of V–Bi bond distances ranging from 3.07–3.50 Å. In the sixth V site, V is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of V–Bi bond distances ranging from 3.02–3.34 Å. In the seventh V site, V is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of V–Bi bond distances ranging from 3.10–3.57 Å. In the eighth V site, V is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of V–Bi bond distances ranging from 3.04–3.65 Å. There are forty-six inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.25–3.38 Å. In the second Bi site, Bi is bonded in a 7-coordinate geometry to three V and one Bi atom. The Bi–Bi bond length is 3.70 Å. In the third Bi site, Bi is bonded in a 2-coordinate geometry to two V and five Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.23–3.67 Å. In the fourth Bi site, Bi is bonded in a distorted single-bond geometry to one V and four Bi atoms. There are two shorter (3.25 Å) and one longer (3.55 Å) Bi–Bi bond lengths. In the fifth Bi site, Bi is bonded in a 3-coordinate geometry to three V and one Bi atom. The Bi–Bi bond length is 3.34 Å. In the sixth Bi site, Bi is bonded in a 9-coordinate geometry to two V and seven Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.23–3.61 Å. In the seventh Bi site, Bi is bonded in a 3-coordinate geometry to three V atoms. In the eighth Bi site, Bi is bonded in a 9-coordinate geometry to one V and eight Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.37–3.59 Å. In the ninth Bi site, Bi is bonded in a distorted single-bond geometry to one V and three Bi atoms. The Bi–Bi bond length is 3.16 Å. In the tenth Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent V and five Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.17–3.54 Å. In the eleventh Bi site, Bi is bonded in a distorted L-shaped geometry to two V and two Bi atoms. There are one shorter (3.28 Å) and one longer (3.52 Å) Bi–Bi bond lengths. In the twelfth Bi site, Bi is bonded in a 1-coordinate geometry to one V and five Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.21–3.47 Å. In the thirteenth Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent V and five Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.17–3.41 Å. In the fourteenth Bi site, Bi is bonded in a 10-coordinate geometry to three V and seven Bi atoms. The Bi–Bi bond length is 3.53 Å. In the fifteenth Bi site, Bi is bonded in a distorted single-bond geometry to one V and four Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.34–3.71 Å. In the sixteenth Bi site, Bi is bonded in a distorted linear geometry to two V and two Bi atoms. The Bi–Bi bond length is 3.39 Å. In the seventeenth Bi site, Bi is bonded in a 1-coordinate geometry to one V and five Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.20–3.56 Å. In the eighteenth Bi site, Bi is bonded in a distorted bent 120 degrees geometry to two V and two Bi atoms. There are one shorter (3.34 Å) and one longer (3.58 Å) Bi–Bi bond lengths. In the nineteenth Bi site, Bi is bonded in a distorted bent 120 degrees geometry to two V and three Bi atoms. The Bi–Bi bond length is 3.55 Å. In the twentieth Bi site, Bi is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.35–3.65 Å. In the twenty-first Bi site, Bi is bonded in a 2-coordinate geometry to two V and three Bi atoms. There are one shorter (3.52 Å) and one longer (3.56 Å) Bi–Bi bond lengths. In the twenty-second Bi site, Bi is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.22–3.58 Å. In the twenty-third Bi site, Bi is bonded in a distorted bent 120 degrees geometry to two V atoms. In the twenty-fourth Bi site, Bi is bonded in a 1-coordinate geometry to one V and two Bi atoms. There are one shorter (3.37 Å) and one longer (3.52 Å) Bi–Bi bond lengths. In the twenty-fifth Bi site, Bi is bonded in a distorted single-bond geometry to one V and four Bi atoms. There are one shorter (3.34 Å) and one longer (3.36 Å) Bi–Bi bond lengths. In the twenty-sixth Bi site, Bi is bonded in a distorted single-bond geometry to one V and four Bi atoms. The Bi–Bi bond length is 3.41 Å. In the twenty-seventh Bi site, Bi is bonded in a distorted single-bond geometry to one V and one Bi atom. The Bi–Bi bond length is 3.58 Å. In the twenty-eighth Bi site, Bi is bonded in a 7-coordinate geometry to seven Bi atoms. There are one shorter (3.34 Å) and one longer (3.57 Å) Bi–Bi bond lengths. In the twenty-ninth Bi site, Bi is bonded in a 2-coordinate geometry to two V and two Bi atoms. The Bi–Bi bond length is 3.64 Å. In the thirtieth Bi site, Bi is bonded in a 2-coordinate geometry to two V and one Bi atom. In the thirty-first Bi site, Bi is bonded in a 2-coordinate geometry to two V and two Bi atoms. The Bi–Bi bond length is 3.44 Å. In the thirty-second Bi site, Bi is bonded in a 11-coordinate geometry to eight Bi atoms. The Bi–Bi bond length is 3.65 Å. In the thirty-third Bi site, Bi is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.27–3.55 Å. In the thirty-fourth Bi site, Bi is bonded in a 10-coordinate geometry to two V and eight Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.16–3.60 Å. In the thirty-fifth Bi site, Bi is bonded in a 1-coordinate geometry to three V and three Bi atoms. There are one shorter (3.16 Å) and one longer (3.29 Å) Bi–Bi bond lengths. In the thirty-sixth Bi site, Bi is bonded in a distorted single-bond geometry to two equivalent V and four Bi atoms. There are one shorter (3.21 Å) and one longer (3.60 Å) Bi–Bi bond lengths. In the thirty-seventh Bi site, Bi is bonded in a 2-coordinate geometry to three V and five Bi atoms. There are one shorter (3.23 Å) and one longer (3.37 Å) Bi–Bi bond lengths. In the thirty-eighth Bi site, Bi is bonded in a 1-coordinate geometry to one V and two Bi atoms. The Bi–Bi bond length is 3.27 Å. In the thirty-ninth Bi site, Bi is bonded in a 3-coordinate geometry to three V and two Bi atoms. The Bi–Bi bond length is 3.31 Å. In the fortieth Bi site, Bi is bonded in a 6-coordinate geometry to six Bi atoms. The Bi–Bi bond length is 3.40 Å. In the forty-first Bi site, Bi is bonded in a 2-coordinate geometry to two V and three Bi atoms. The Bi–Bi bond length is 3.51 Å. In the forty-second Bi site, Bi is bonded in a 6-coordinate geometry to two V and five Bi atoms. There are one shorter (3.26 Å) and one longer (3.28 Å) Bi–Bi bond lengths. In the forty-third Bi site, Bi is bonded in a distorted single-bond geometry to one V and four Bi atoms. The Bi–Bi bond length is 3.25 Å. In the forty-fourth Bi site, Bi is bonded in a 2-coordinate geometry to two V and four Bi atoms. The Bi–Bi bond length is 3.16 Å. In the forty-fifth Bi site, Bi is bonded in a 3-coordinate geometry to three V and five Bi atoms. In the forty-sixth Bi site, Bi is bonded in a 10-coordinate geometry to one V and nine Bi atoms. The Bi–Bi bond length is 3.42 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V3Bi2 by Materials Project

V3Bi2 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are five inequivalent V sites. In the first V site, V is bonded in a 9-coordinate geometry to four V and five Bi atoms. There are two shorter (2.47 Å) and two longer (2.66 Å) V–V bond lengths. There are a spread of V–Bi bond distances ranging from 2.84–3.00 Å. In the second V site, V is bonded in a 9-coordinate geometry to four V and five Bi atoms. There are two shorter (2.51 Å) and two longer (2.68 Å) V–V bond lengths. There are a spread of V–Bi bond distances ranging from 2.85–3.01 Å. In the third V site, V is bonded to six Bi atoms to form VBi6 octahedra that share corners with six VV8Bi4 cuboctahedra and edges with two equivalent VBi6 octahedra. There are two shorter (2.75 Å) and four longer (3.03 Å) V–Bi bond lengths. In the fourth V site, V is bonded to eight equivalent V and four equivalent Bi atoms to form VV8Bi4 cuboctahedra that share corners with four equivalent VBi6 octahedra and faces with two equivalent VV8Bi4 cuboctahedra. The corner-sharing octahedral tilt angles are 51°. All V–Bi bond lengths are 2.85 Å. In the fifth V site, V is bonded to eight equivalent V and four equivalent Bi atoms to form VV8Bi4 cuboctahedra that share corners with eight equivalent VBi6 octahedra and faces with two equivalent VV8Bi4 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. All V–Bi bond lengths are 3.03 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to seven V atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to eight V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VBi2 by Materials Project

VBi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of V–Bi bond distances ranging from 2.86–3.19 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to five equivalent V atoms. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three equivalent V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V4Bi3 by Materials Project

V4Bi3 is Magnesium tetraboride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent V sites. In the first V site, V is bonded in a 9-coordinate geometry to four V and five Bi atoms. There are a spread of V–V bond distances ranging from 2.39–2.59 Å. There are a spread of V–Bi bond distances ranging from 2.95–3.13 Å. In the second V site, V is bonded in a 6-coordinate geometry to one V and six Bi atoms. The V–V bond length is 2.79 Å. There are a spread of V–Bi bond distances ranging from 2.82–2.90 Å. In the third V site, V is bonded in a 7-coordinate geometry to four V and five Bi atoms. Both V–V bond lengths are 2.91 Å. There are a spread of V–Bi bond distances ranging from 2.86–2.95 Å. In the fourth V site, V is bonded in a 8-coordinate geometry to two equivalent V and six Bi atoms. There are two shorter (2.76 Å) and four longer (2.90 Å) V–Bi bond lengths. In the fifth V site, V is bonded in a 12-coordinate geometry to eight V and four Bi atoms. There are two shorter (2.76 Å) and two longer (2.88 Å) V–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight V atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six V atoms. In the third Bi site, Bi is bonded in a 7-coordinate geometry to seven V atoms.

36 MATERIALS SCIENCE↗