Valence band and core-level photoemission spectra of black phosphorus single crystals

Takeuchi, Masaki; Suga, S.; Seki, Munetoshi; Sakamoto, Hirokazu; Kanzaki, Hiroshi; Akahama, Yuichi; Terada, S.; Endo, S.; Narita, Shin‐ichiro

doi:10.1016/0038-1098(83)90340-x

Cited by 50 publications

(21 citation statements)

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“…[18,22,23] These synthetic methods were improved by using the more-stable red phosphorus as the starting material and BELTapparatus.T he high-temperature transformation of white phosphorus to BP was investigated in detail by Keyes, [24] who observed that the transformation occurred in af ew minutes at 200 8 8Cu nder 1.3 GPa, and was accompanied by ar eduction in volume.T hese methods involving rapid phase transformation at relatively low temperatures only yield very small crystals and ingots,w ith crystallite sizes below 100 mm. [27][28][29][30][31][32][33][34][35][36][37][38] Significant improvements in the high-pressure/high-temperature synthesis of BP were achieved by using high-pressure apparatus with ac ubic or tetrahedral anvil. [25] In this procedure, white phosphorus was heated at 1230 8 8Ca nd then slowly cooled under apressure of 2.2 GPa.…”

Section: Bulk Black Phosphorusmentioning

confidence: 99%

“…In the 1980s,s everal Japanese groups aimed to improve these procedures so as to obtain large single crystals for detailed characterizations of the electrical transport properties. [27][28][29][30][31][32][33][34][35][36][37][38] Significant improvements in the high-pressure/high-temperature synthesis of BP were achieved by using high-pressure apparatus with ac ubic or tetrahedral anvil. In 1981 Akimoto and co-workers successfully achieved the first high-pressure growth of BP single crystals.…”

Section: Bulk Black Phosphorusmentioning

confidence: 99%

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Black Phosphorus Rediscovered: From Bulk Material to Monolayers

2017

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Phosphorus is a nonmetal with several allotropes, from the highly reactive white phosphorus to the thermodynamically stable black phosphorus (BP) with a puckered orthorhombic layered structure. The bulk form of BP was first synthesized in 1914, but received little attention until it was rediscovered in 2014 as a member of the new wave of 2D layered nanomaterials. BP can be exfoliated to a single sheet that acts as a semiconductor with a tunable direct band gap, a high carrier mobility at room temperature, and an in-plane anisotropy. The development of BP applications is hampered by surface degradation, thus efforts to achieve effective BP passivation are ongoing, such as its integration in van der Waals heterostructures. BP has been tested as a novel nanomaterial in batteries, transistors, sensors, and photonics. This Review begins with the origin of the BP story, following the path from a bulk material to modern few/single layers. The physical and chemical properties are summarized, and the state-of-the-art of BP applications highlighted.

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Section: Bulk Black Phosphorusmentioning

confidence: 99%

Section: Bulk Black Phosphorusmentioning

confidence: 99%

Black Phosphorus Rediscovered: From Bulk Material to Monolayers

2017

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“…The error bars are the width of the slightly split levels due to the spin polarization of these systems. We also list experimental data for comparison. The results are fairly good for all atoms, indicating again the validity of the present method.…”

Section: Resultsmentioning

confidence: 99%

Spin‐Orbit Coupling in All‐Electron Mixed Basis Approach

Nakashima

Ohno

2019

Annalen der Physik

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In the evaluation of the spin-orbit coupling (SOC), the use of the L · S formula is invalid in the interatomic region where the effective potential is not spherically symmetric. This problem occurs in the LCAO, LMTO, and APW methods, while the plane-wave pseudopotential and PAW methods cannot treat the spin-orbit splitting (SOS) of core orbitals. To avoid these problems, the all-electron mixed basis approach is adopted, which uses both plane waves (PWs) and atomic orbitals (AOs) as a basis set. The general form S · V × p can be used for PWs, while the standard form L · S can be used for AOs, which are well localized inside the non-overlapping atomic sphere in the spherical potential region and composed of the numerical radial function on a logarithmic radial mesh and analytic cubic harmonics. The explicit formula of the AO-AO, PW-AO, and PW-PW matrix elements of the SOC for spin-polarized systems is presented. In particular, the AO-AO matrices are explicitly derived for p, d, and f orbitals. The method is applied to the SOS of core and valence levels in X-ray photoelectron spectra. The results are in excellent agreement with the available experimental data, which suggests the validity of the present method.

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“…Dieses Verfahren lieferte einzelne Plättchenkristalle mit Größen bis zu 6 mm und Dicken von 0.15 bis 0.25 mm. In den 1980er Jahren arbeiteten mehrere japanische Forschungsgruppen an der Verbesserung dieser Verfahren, um große Einkristalle für die genaue Charakterisierung der elektrischen Transporteigenschaften zu erhalten . Eine wesentliche Verbesserung der Hochdruck‐Hochtemperatursynthese von SP wurde durch Hochdruckvorrichtungen mit kubischem oder tetraedrischem Amboss erzielt.…”

Section: Herstellung Von Schwarzem Phosphorunclassified

Schwarzer Phosphor neu entdeckt: vom Volumenmaterial zu Monoschichten

2017

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Phosphor ist ein Nichtmetall mit mehreren Allotropen – vom hochreaktiven weißen Phosphor bis zum thermodynamisch stabilen schwarzen Phosphor (SP) mit gewellter orthorhombischer Schichtstruktur. Die Volumenform von SP wurde erstmals 1914 synthetisiert, wurde aber wenig beachtet, bis sie 2014 als Teil einer neuen Welle schichtartiger 2D‐Nanomaterialien wiederentdeckt wurde. SP kann zu einer Einzelschicht exfoliert werden, die eine halbleitende Struktur mit einstellbarer direkter Bandlücke, hoher Trägermobilität bei Raumtemperatur und Anisotropie innerhalb der Ebene aufweist. Allerdings ist oberflächenchemische Zersetzung ein Problem für die Entwicklung von SP‐Anwendungen, weshalb an der Passivierung von SP gearbeitet wird, z. B. über Integration in Van‐der‐Waals‐Heterostrukturen. Aktuell wird der Einsatz von SP als Nanomaterial in Batterien, Transistoren, Sensoren und in der Photonik geprüft. Der Aufsatz beginnt bei den Ursprüngen von SP und verfolgt dessen Weg von einem Volumenmaterial zu modernen Mehrfach‐/Monoschichten. Physikalische und chemische Eigenschaften werden zusammengefasst, und der Forschungsstand über Anwendungen von SP wird beleuchtet.

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Valence band and core-level photoemission spectra of black phosphorus single crystals

Cited by 50 publications

References 4 publications

Black Phosphorus Rediscovered: From Bulk Material to Monolayers

Black Phosphorus Rediscovered: From Bulk Material to Monolayers

Spin‐Orbit Coupling in All‐Electron Mixed Basis Approach

Schwarzer Phosphor neu entdeckt: vom Volumenmaterial zu Monoschichten

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