Prediction and realisation of high mobility and degenerate p-type conductivity in CaCuP thin films

Willis, Joe; Brabic, Ivona; Schnepf, Rekha R.; Heinselman, Karen N.; Monserrat, Bartomeu; Unold, Thomas; Zakutayev, Andriy; Scanlon, David O.; Crovetto, Andrea

doi:10.1039/d2sc01538b

Cited by 20 publications

(34 citation statements)

References 85 publications

(104 reference statements)

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“…A recent report on thin-film CaCuP has a similar n H B 1.2 Â 10 20 cm À3 , but a lower m H B 36 cm 2 V À1 s À1 compared to 100 cm 2 V À1 s À1 in this work. 25 Density of states effective mass, m Ã DoS ¼ N DoS for MgCuP is consistent with the published bandstructure. 17 MgCuP has a single band at the valence band maximum (VBM), which occurs at the G-point (N v = 1).…”

supporting

confidence: 86%

“…A recent report on thin-film CaCuP reports a similar nH ~ 1.2 × 10 20 cm -3 , but a lower μH ~ 36 cm 2 .V -1 .s -1 compared to 100 cm 2 .V -1 .s -1 in this work. 25 Density of states effective mass, m*DoS = Nv 2/3 m*b values were determined using the single parabolic band (SPB) model. 26 m*DoS is an important fundamental electronic parameter that determines the magnitude of S and is linked to the total orbital and valley degeneracy (N v) and band mass (m*b) of the carriers.…”

mentioning

confidence: 99%

“…A recent report on thin-film CaCuP has a similar n H ∼ 1.2 × 10 20 cm −3 , but a lower μ H ∼ 36 cm 2 V −1 s −1 compared to 100 cm 2 V −1 s −1 in this work. 25…”

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confidence: 99%

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“…A potential method for growing phosphorus-rich phosphide thin films is reactive sputtering. We have recently shown the feasibility of this deposition technique for various metal-rich phosphide compounds. − …”

Section: Introductionmentioning

confidence: 99%

Crystallize It before It Diffuses: Kinetic Stabilization of Thin-Film Phosphorus-Rich Semiconductor CuP₂

et al. 2022

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Numerous phosphorus-rich metal phosphides containing both P–P bonds and metal–P bonds are known from the solid-state chemistry literature. A method to grow these materials in thin-film form would be desirable, as thin films are required in many applications and they are an ideal platform for high-throughput studies. In addition, the high density and smooth surfaces achievable in thin films are a significant advantage for characterization of transport and optical properties. Despite these benefits, there is hardly any published work on even the simplest binary phosphorus-rich phosphide films. Here, we demonstrate growth of single-phase CuP2 films by a two-step process involving reactive sputtering of amorphous CuP2+x and rapid annealing in an inert atmosphere. At the crystallization temperature, CuP2 is thermodynamically unstable with respect to Cu3P and P4. However, CuP2 can be stabilized if the amorphous precursors are mixed on the atomic scale and are sufficiently close to the desired composition (neither too P poor nor too P rich). Fast formation of polycrystalline CuP2, combined with a short annealing time, makes it possible to bypass the diffusion processes responsible for decomposition. We find that thin-film CuP2 is a 1.5 eV band gap semiconductor with interesting properties, such as a high optical absorption coefficient (above 105 cm–1), low thermal conductivity (1.1 W/(K m)), and composition-insensitive electrical conductivity (around 1 S/cm). We anticipate that our processing route can be extended to other phosphorus-rich phosphides that are still awaiting thin-film synthesis and will lead to a more complete understanding of these materials and of their potential applications.

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“…We have recently shown the feasibility of this deposition technique for various metal-rich phosphide compounds. [20][21][22] In this work, we demonstrate a relatively simple two-step process route to grow polycrystalline CuP 2 thin films as semiconductors of potential technological interest. First, reactive sputter deposition of amorphous CuP 2+x in a PH 3 -containing atmosphere; second, crystallization by rapid thermal annealing (RTA) in an inert atmosphere.…”

Section: Introductionmentioning

confidence: 99%

Crystallize it before it diffuses: Kinetic stabilization of thin-film phosphorus-rich semiconductor CuP2

Crovetto

Kojda

et al. 2022

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Numerous phosphorus-rich metal phosphides containing both P-P bonds and metal-P bonds are known from the solid-state chemistry literature. A method to grow these materials in thin-film form would be desirable, since thin films are required in many applications and they are an ideal platform for high-throughput studies. In addition, the high density and smooth surfaces achievable in thin films are a significant advantage for characterization of transport and optical properties. Despite these benefits, there is hardly any published work on even the simplest binary phosphorus-rich phosphides. Here, we demonstrate growth of single-phase CuP2 films by a two-step process involving reactive sputtering of amorphous CuP{2+x} and rapid annealing in an inert atmosphere. At the temperature required for crystallization, CuP2 tends to decompose into Cu3P and gaseous phosphorus. However, CuP2 can still be synthesized if the amorphous precursors are mixed on the atomic scale and are sufficiently close to the desired composition (neither too P poor nor too P rich). Fast formation of polycrystalline CuP2, combined with a short annealing time, makes it possible to bypass the diffusion processes responsible for decomposition. We find that thin-film CuP2 is a 1.5 eV band gap semiconductor with interesting properties, such as a high optical absorption coefficient (above 1e5 cm-1), low thermal conductivity (1.1 W/Km), and composition-insensitive electrical conductivity (around 1 S/cm). We anticipate that our processing route can be extended to other phosphorus-rich phosphides that are still awaiting thin-film synthesis, and will lead to more complete understanding of these materials and of their potential applications.

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Prediction and realisation of high mobility and degenerate p-type conductivity in CaCuP thin films

Abstract: Phosphides are interesting candidates for hole transport materials and p-type transparent conducting applications, capable of achieving greater valence band dispersion than their oxide counterparts due to the higher lying energy...

Cited by 20 publications

References 85 publications

New sustainable ternary copper phosphide thermoelectrics

New sustainable ternary copper phosphide thermoelectrics

Crystallize It before It Diffuses: Kinetic Stabilization of Thin-Film Phosphorus-Rich Semiconductor CuP₂

Crystallize it before it diffuses: Kinetic stabilization of thin-film phosphorus-rich semiconductor CuP2

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Prediction and realisation of high mobility and degenerate p-type conductivity in CaCuP thin films

Abstract: Phosphides are interesting candidates for hole transport materials and p-type transparent conducting applications, capable of achieving greater valence band dispersion than their oxide counterparts due to the higher lying energy...

Cited by 20 publications

References 85 publications

New sustainable ternary copper phosphide thermoelectrics

New sustainable ternary copper phosphide thermoelectrics

Crystallize It before It Diffuses: Kinetic Stabilization of Thin-Film Phosphorus-Rich Semiconductor CuP2

Crystallize it before it diffuses: Kinetic stabilization of thin-film phosphorus-rich semiconductor CuP2

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Crystallize It before It Diffuses: Kinetic Stabilization of Thin-Film Phosphorus-Rich Semiconductor CuP₂