Electronic and magnetic properties of two-dimensional of FeX (X = S, Se, Te) monolayers crystallize in the orthorhombic structures
In this Letter, we explore the lattice, dynamical stability, and electronic and magnetic properties of FeTe bulk and FeX (X = S, Se, Te) monolayers using the density functional calculations. The phonon dispersion relation, elastic stability criteria, and cohesive energy results show the stability of...
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| Veröffentlicht in: | Applied physics letters 2021-04, Vol.118 (14) |
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| container_title | Applied physics letters |
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| creator | Bafekry, A. Abdolhosseini Sarsari, I. Faraji, M. Fadlallah, M. M. Jappor, H. R. Karbasizadeh, S. Nguyen, V. Ghergherehchi, M. |
| description | In this Letter, we explore the lattice, dynamical stability, and electronic and magnetic properties of FeTe bulk and FeX (X = S, Se, Te) monolayers using the density functional calculations. The phonon dispersion relation, elastic stability criteria, and cohesive energy results show the stability of studied FeX monolayers. The mechanical properties reveal that all FeX monolayers have a brittle nature. Furthermore, these structures are stable as we move down the 6A group in the periodic table, i.e., from S, Se, and Te. The stability and work function decrease as the electronegativity decreases. The spin-polarized electronic structures demonstrate that the FeTe monolayer has a total magnetization of 3.8 μB, which is smaller than the magnetization of FeTe bulk (4.7 μB). However, FeSe and FeS are nonmagnetic monolayers. The FeTe monolayer can be a good candidate material for spin filter applications due to its electronic and magnetic properties. This study highlights the bright prospect for the application of FeX monolayers in electronic structures. |
| doi_str_mv | 10.1063/5.0046721 |
| format | Article |
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M. ; Jappor, H. R. ; Karbasizadeh, S. ; Nguyen, V. ; Ghergherehchi, M.</creator><creatorcontrib>Bafekry, A. ; Abdolhosseini Sarsari, I. ; Faraji, M. ; Fadlallah, M. M. ; Jappor, H. R. ; Karbasizadeh, S. ; Nguyen, V. ; Ghergherehchi, M.</creatorcontrib><description>In this Letter, we explore the lattice, dynamical stability, and electronic and magnetic properties of FeTe bulk and FeX (X = S, Se, Te) monolayers using the density functional calculations. The phonon dispersion relation, elastic stability criteria, and cohesive energy results show the stability of studied FeX monolayers. The mechanical properties reveal that all FeX monolayers have a brittle nature. Furthermore, these structures are stable as we move down the 6A group in the periodic table, i.e., from S, Se, and Te. The stability and work function decrease as the electronegativity decreases. The spin-polarized electronic structures demonstrate that the FeTe monolayer has a total magnetization of 3.8 μB, which is smaller than the magnetization of FeTe bulk (4.7 μB). However, FeSe and FeS are nonmagnetic monolayers. The FeTe monolayer can be a good candidate material for spin filter applications due to its electronic and magnetic properties. 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The stability and work function decrease as the electronegativity decreases. The spin-polarized electronic structures demonstrate that the FeTe monolayer has a total magnetization of 3.8 μB, which is smaller than the magnetization of FeTe bulk (4.7 μB). However, FeSe and FeS are nonmagnetic monolayers. The FeTe monolayer can be a good candidate material for spin filter applications due to its electronic and magnetic properties. This study highlights the bright prospect for the application of FeX monolayers in electronic structures.</description><subject>Applied physics</subject><subject>Bulk density</subject><subject>Dynamic stability</subject><subject>Electron spin</subject><subject>Electronegativity</subject><subject>Magnetic properties</subject><subject>Magnetism</subject><subject>Magnetization</subject><subject>Materials selection</subject><subject>Mechanical properties</subject><subject>Monolayers</subject><subject>Periodic table</subject><subject>Stability criteria</subject><subject>Tellurium</subject><subject>Work functions</subject><issn>0003-6951</issn><issn>1077-3118</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNp9kM9LwzAYhoMoOKcH_4OAFyfrTJqmPw4eZGwqDDxswm4lTb66jLaZSarMo3-5HRt6EDx9vB8PL7wPQpeUjCiJ2S0fERLFSUiPUI-SJAkYpekx6hFCWBBnnJ6iM-fWXeQhYz30NalAemsaLbFoFK7FawO-CxtrNmC9BodNif2HCZSuoXHaNKLavaawxNdLfIfnQzyHIV7AANemMZXYgnVY2q3zoqr0J2DdYL8CbKxfGbsyddH1O29b6VsL7hydlKJycHG4ffQynSzGj8Hs-eFpfD8LJItDH8gyU5JkRQqJTCgvOeWUFpwLzlQYq0IVkCoeM4gSKUlcyKSEJIokAUGzAhTro6t9bzftrQXn87VpbbfG5SEnWUQymrKOGuwpaY1zFsp8Y3Ut7DanJN8pznl-UNyxN3vWSe2F79T8wO_G_oL5RpX_wX-bvwGbSIuE</recordid><startdate>20210405</startdate><enddate>20210405</enddate><creator>Bafekry, A.</creator><creator>Abdolhosseini Sarsari, I.</creator><creator>Faraji, M.</creator><creator>Fadlallah, M. 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M.</creatorcontrib><creatorcontrib>Jappor, H. R.</creatorcontrib><creatorcontrib>Karbasizadeh, S.</creatorcontrib><creatorcontrib>Nguyen, V.</creatorcontrib><creatorcontrib>Ghergherehchi, M.</creatorcontrib><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Applied physics letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Bafekry, A.</au><au>Abdolhosseini Sarsari, I.</au><au>Faraji, M.</au><au>Fadlallah, M. M.</au><au>Jappor, H. R.</au><au>Karbasizadeh, S.</au><au>Nguyen, V.</au><au>Ghergherehchi, M.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Electronic and magnetic properties of two-dimensional of FeX (X = S, Se, Te) monolayers crystallize in the orthorhombic structures</atitle><jtitle>Applied physics letters</jtitle><date>2021-04-05</date><risdate>2021</risdate><volume>118</volume><issue>14</issue><issn>0003-6951</issn><eissn>1077-3118</eissn><coden>APPLAB</coden><abstract>In this Letter, we explore the lattice, dynamical stability, and electronic and magnetic properties of FeTe bulk and FeX (X = S, Se, Te) monolayers using the density functional calculations. The phonon dispersion relation, elastic stability criteria, and cohesive energy results show the stability of studied FeX monolayers. The mechanical properties reveal that all FeX monolayers have a brittle nature. Furthermore, these structures are stable as we move down the 6A group in the periodic table, i.e., from S, Se, and Te. The stability and work function decrease as the electronegativity decreases. The spin-polarized electronic structures demonstrate that the FeTe monolayer has a total magnetization of 3.8 μB, which is smaller than the magnetization of FeTe bulk (4.7 μB). However, FeSe and FeS are nonmagnetic monolayers. The FeTe monolayer can be a good candidate material for spin filter applications due to its electronic and magnetic properties. 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| subjects | Applied physics Bulk density Dynamic stability Electron spin Electronegativity Magnetic properties Magnetism Magnetization Materials selection Mechanical properties Monolayers Periodic table Stability criteria Tellurium Work functions |
| title | Electronic and magnetic properties of two-dimensional of FeX (X = S, Se, Te) monolayers crystallize in the orthorhombic structures |
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