Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties
Total energy and electronic structure calculations based on density functional theory are performed in order to determine the atomic structure and electronic properties of clean and hydrogen‐adsorbed Al0.5In0.5P(001) surfaces. It is found that most of the stable surfaces obey the electron‐counting r...
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creator | Glahn, Luis Joel Ruiz Alvarado, Isaac Azahel Neufeld, Sergej Zare Pour, Mohammad Amin Paszuk, Agnieszka Ostheimer, David Shekarabi, Sahar Romanyuk, Oleksandr Moritz, Dominik Christian Hofmann, Jan Philipp Jaegermann, Wolfram Hannappel, Thomas Schmidt, Wolf Gero |
description | Total energy and electronic structure calculations based on density functional theory are performed in order to determine the atomic structure and electronic properties of clean and hydrogen‐adsorbed Al0.5In0.5P(001) surfaces. It is found that most of the stable surfaces obey the electron‐counting rule and are characterized by surface atom dimerization. The dimer‐related surface states are predicted to occur in the vicinity of the bulk band edges. For a very narrow range of preparation conditions, ab initio thermodynamics predicts metal atomic wires formed by surface cations. A surface covered with a monolayer of buckled phosphorus dimers, where half of the phosphorus atoms are hydrogen saturated, is found to be stable for metal–organic vapor‐phase epitaxy growth conditions. The occurrence of this structure is confirmed by low‐energy electron diffraction and X‐ray photoelectron spectroscopy data measured on epitaxially grown Al0.52In0.48P(001) epilayers lattice matched to GaAs.
The microscopic structure and electronic properties of AlInP(001) surfaces are explored. Surfaces grown by metal–organic vapor‐phase epitaxy are covered with a monolayer of buckled phosphorus dimers, where half of the phosphorus atoms are hydrogen saturated. Depending on the surface preparation conditions, further semiconducting dimer structures as well as metal atomic wires may form. |
doi_str_mv | 10.1002/pssb.202200308 |
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The microscopic structure and electronic properties of AlInP(001) surfaces are explored. Surfaces grown by metal–organic vapor‐phase epitaxy are covered with a monolayer of buckled phosphorus dimers, where half of the phosphorus atoms are hydrogen saturated. Depending on the surface preparation conditions, further semiconducting dimer structures as well as metal atomic wires may form.</description><identifier>ISSN: 0370-1972</identifier><identifier>EISSN: 1521-3951</identifier><identifier>DOI: 10.1002/pssb.202200308</identifier><language>eng</language><subject>AlInP ; density functional theory ; electronic properties ; surface structures ; X-ray photoelectron spectroscopy</subject><ispartof>physica status solidi (b), 2022-11, Vol.259 (11), p.n/a</ispartof><rights>2022 The Authors. physica status solidi (b) basic solid state physics published by Wiley‐VCH GmbH</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c2878-27f589676637b4c332617c5d90c9f1db57beabff16721604bc31f07450cdd75d3</citedby><cites>FETCH-LOGICAL-c2878-27f589676637b4c332617c5d90c9f1db57beabff16721604bc31f07450cdd75d3</cites><orcidid>0000-0002-2173-4068 ; 0000-0002-5765-1096 ; 0000-0002-7693-098X ; 0000-0003-0430-3706 ; 0000-0002-2717-5076 ; 0000-0002-4710-1170</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1002%2Fpssb.202200308$$EPDF$$P50$$Gwiley$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1002%2Fpssb.202200308$$EHTML$$P50$$Gwiley$$Hfree_for_read</linktohtml><link.rule.ids>314,780,784,1417,27924,27925,45574,45575</link.rule.ids></links><search><creatorcontrib>Glahn, Luis Joel</creatorcontrib><creatorcontrib>Ruiz Alvarado, Isaac Azahel</creatorcontrib><creatorcontrib>Neufeld, Sergej</creatorcontrib><creatorcontrib>Zare Pour, Mohammad Amin</creatorcontrib><creatorcontrib>Paszuk, Agnieszka</creatorcontrib><creatorcontrib>Ostheimer, David</creatorcontrib><creatorcontrib>Shekarabi, Sahar</creatorcontrib><creatorcontrib>Romanyuk, Oleksandr</creatorcontrib><creatorcontrib>Moritz, Dominik Christian</creatorcontrib><creatorcontrib>Hofmann, Jan Philipp</creatorcontrib><creatorcontrib>Jaegermann, Wolfram</creatorcontrib><creatorcontrib>Hannappel, Thomas</creatorcontrib><creatorcontrib>Schmidt, Wolf Gero</creatorcontrib><title>Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties</title><title>physica status solidi (b)</title><description>Total energy and electronic structure calculations based on density functional theory are performed in order to determine the atomic structure and electronic properties of clean and hydrogen‐adsorbed Al0.5In0.5P(001) surfaces. It is found that most of the stable surfaces obey the electron‐counting rule and are characterized by surface atom dimerization. The dimer‐related surface states are predicted to occur in the vicinity of the bulk band edges. For a very narrow range of preparation conditions, ab initio thermodynamics predicts metal atomic wires formed by surface cations. A surface covered with a monolayer of buckled phosphorus dimers, where half of the phosphorus atoms are hydrogen saturated, is found to be stable for metal–organic vapor‐phase epitaxy growth conditions. The occurrence of this structure is confirmed by low‐energy electron diffraction and X‐ray photoelectron spectroscopy data measured on epitaxially grown Al0.52In0.48P(001) epilayers lattice matched to GaAs.
The microscopic structure and electronic properties of AlInP(001) surfaces are explored. Surfaces grown by metal–organic vapor‐phase epitaxy are covered with a monolayer of buckled phosphorus dimers, where half of the phosphorus atoms are hydrogen saturated. Depending on the surface preparation conditions, further semiconducting dimer structures as well as metal atomic wires may form.</description><subject>AlInP</subject><subject>density functional theory</subject><subject>electronic properties</subject><subject>surface structures</subject><subject>X-ray photoelectron spectroscopy</subject><issn>0370-1972</issn><issn>1521-3951</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><sourceid>24P</sourceid><sourceid>WIN</sourceid><recordid>eNqF0L1OwzAUhmELgUQorMwZYUg5x47jhC1UhVaqRKWAGKP4DwWFJLJToWy9BK6RK4FSBCPTWc7zDS8h5whTBKBXvfdySoFSAAbpAQmQU4xYxvGQBMAERJgJekxOvH8BAIEMA_I0a0zVhlWrw8WoXfds2o_te65956TRYd4s2_UFAF6GxcbZShl_HRaD26hh44z_dvPGqMF1ba3Ctet644ba-FNyZKvGm7OfOyGPt_OH2SJa3d8tZ_kqUjQVaUSF5WmWiCRhQsaKMZqgUFxnoDKLWnIhTSWtxURQTCCWiqEFEXNQWguu2YRM97vKdd47Y8ve1a-VG0uEcpel3GUpf7N8gWwP3urGjP98l-uiuPmzn_3_Zz0</recordid><startdate>202211</startdate><enddate>202211</enddate><creator>Glahn, Luis Joel</creator><creator>Ruiz Alvarado, Isaac Azahel</creator><creator>Neufeld, Sergej</creator><creator>Zare Pour, Mohammad Amin</creator><creator>Paszuk, Agnieszka</creator><creator>Ostheimer, David</creator><creator>Shekarabi, Sahar</creator><creator>Romanyuk, Oleksandr</creator><creator>Moritz, Dominik Christian</creator><creator>Hofmann, Jan Philipp</creator><creator>Jaegermann, Wolfram</creator><creator>Hannappel, Thomas</creator><creator>Schmidt, Wolf Gero</creator><scope>24P</scope><scope>WIN</scope><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0002-2173-4068</orcidid><orcidid>https://orcid.org/0000-0002-5765-1096</orcidid><orcidid>https://orcid.org/0000-0002-7693-098X</orcidid><orcidid>https://orcid.org/0000-0003-0430-3706</orcidid><orcidid>https://orcid.org/0000-0002-2717-5076</orcidid><orcidid>https://orcid.org/0000-0002-4710-1170</orcidid></search><sort><creationdate>202211</creationdate><title>Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties</title><author>Glahn, Luis Joel ; Ruiz Alvarado, Isaac Azahel ; Neufeld, Sergej ; Zare Pour, Mohammad Amin ; Paszuk, Agnieszka ; Ostheimer, David ; Shekarabi, Sahar ; Romanyuk, Oleksandr ; Moritz, Dominik Christian ; Hofmann, Jan Philipp ; Jaegermann, Wolfram ; Hannappel, Thomas ; Schmidt, Wolf Gero</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c2878-27f589676637b4c332617c5d90c9f1db57beabff16721604bc31f07450cdd75d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>AlInP</topic><topic>density functional theory</topic><topic>electronic properties</topic><topic>surface structures</topic><topic>X-ray photoelectron spectroscopy</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Glahn, Luis Joel</creatorcontrib><creatorcontrib>Ruiz Alvarado, Isaac Azahel</creatorcontrib><creatorcontrib>Neufeld, Sergej</creatorcontrib><creatorcontrib>Zare Pour, Mohammad Amin</creatorcontrib><creatorcontrib>Paszuk, Agnieszka</creatorcontrib><creatorcontrib>Ostheimer, David</creatorcontrib><creatorcontrib>Shekarabi, Sahar</creatorcontrib><creatorcontrib>Romanyuk, Oleksandr</creatorcontrib><creatorcontrib>Moritz, Dominik Christian</creatorcontrib><creatorcontrib>Hofmann, Jan Philipp</creatorcontrib><creatorcontrib>Jaegermann, Wolfram</creatorcontrib><creatorcontrib>Hannappel, Thomas</creatorcontrib><creatorcontrib>Schmidt, Wolf Gero</creatorcontrib><collection>Wiley Online Library (Open Access Collection)</collection><collection>Wiley Online Library (Open Access Collection)</collection><collection>CrossRef</collection><jtitle>physica status solidi (b)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Glahn, Luis Joel</au><au>Ruiz Alvarado, Isaac Azahel</au><au>Neufeld, Sergej</au><au>Zare Pour, Mohammad Amin</au><au>Paszuk, Agnieszka</au><au>Ostheimer, David</au><au>Shekarabi, Sahar</au><au>Romanyuk, Oleksandr</au><au>Moritz, Dominik Christian</au><au>Hofmann, Jan Philipp</au><au>Jaegermann, Wolfram</au><au>Hannappel, Thomas</au><au>Schmidt, Wolf Gero</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties</atitle><jtitle>physica status solidi (b)</jtitle><date>2022-11</date><risdate>2022</risdate><volume>259</volume><issue>11</issue><epage>n/a</epage><issn>0370-1972</issn><eissn>1521-3951</eissn><abstract>Total energy and electronic structure calculations based on density functional theory are performed in order to determine the atomic structure and electronic properties of clean and hydrogen‐adsorbed Al0.5In0.5P(001) surfaces. It is found that most of the stable surfaces obey the electron‐counting rule and are characterized by surface atom dimerization. The dimer‐related surface states are predicted to occur in the vicinity of the bulk band edges. For a very narrow range of preparation conditions, ab initio thermodynamics predicts metal atomic wires formed by surface cations. A surface covered with a monolayer of buckled phosphorus dimers, where half of the phosphorus atoms are hydrogen saturated, is found to be stable for metal–organic vapor‐phase epitaxy growth conditions. The occurrence of this structure is confirmed by low‐energy electron diffraction and X‐ray photoelectron spectroscopy data measured on epitaxially grown Al0.52In0.48P(001) epilayers lattice matched to GaAs.
The microscopic structure and electronic properties of AlInP(001) surfaces are explored. Surfaces grown by metal–organic vapor‐phase epitaxy are covered with a monolayer of buckled phosphorus dimers, where half of the phosphorus atoms are hydrogen saturated. Depending on the surface preparation conditions, further semiconducting dimer structures as well as metal atomic wires may form.</abstract><doi>10.1002/pssb.202200308</doi><tpages>6</tpages><orcidid>https://orcid.org/0000-0002-2173-4068</orcidid><orcidid>https://orcid.org/0000-0002-5765-1096</orcidid><orcidid>https://orcid.org/0000-0002-7693-098X</orcidid><orcidid>https://orcid.org/0000-0003-0430-3706</orcidid><orcidid>https://orcid.org/0000-0002-2717-5076</orcidid><orcidid>https://orcid.org/0000-0002-4710-1170</orcidid><oa>free_for_read</oa></addata></record> |
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subjects | AlInP density functional theory electronic properties surface structures X-ray photoelectron spectroscopy |
title | Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties |
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