Pressure and disorder effects on the half-metallic character and magnetic properties of the full-Heusler alloy Co2FeSi
We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in e...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Zhu, Xingfeng [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2014transfer abstract |
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| Schlagwörter: |
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| Umfang: |
6 |
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| Übergeordnetes Werk: |
Enthalten in: Biological mechanisms of cadmium accumulation in edible Amaranth ( - Guo, Shi-Hong ELSEVIER, 2020, an international journal, New York, NY [u.a.] |
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| Übergeordnetes Werk: |
volume:75 ; year:2014 ; number:3 ; pages:391-396 ; extent:6 |
| Links: |
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| DOI / URN: |
10.1016/j.jpcs.2013.11.008 |
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ELV018030971 |
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| 245 | 1 | 0 | |a Pressure and disorder effects on the half-metallic character and magnetic properties of the full-Heusler alloy Co2FeSi |
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| 520 | |a We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. | ||
| 520 | |a We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. | ||
| 650 | 7 | |a Electronic structure |2 Elsevier | |
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| 700 | 1 | |a Wang, Lu |4 oth | |
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10.1016/j.jpcs.2013.11.008 doi GBVA2014022000006.pica (DE-627)ELV018030971 (ELSEVIER)S0022-3697(13)00377-6 DE-627 ger DE-627 rakwb eng 530 540 530 DE-600 540 DE-600 333.7 570 690 VZ BIODIV DE-30 fid 48.00 bkl Zhu, Xingfeng verfasserin aut Pressure and disorder effects on the half-metallic character and magnetic properties of the full-Heusler alloy Co2FeSi 2014transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. Electronic structure Elsevier Half-metal Elsevier Atomic disorder Elsevier Magnetic properties Elsevier Wang, Yaxu oth Wang, Lu oth Dai, Yafei oth Luo, Chenglin oth Enthalten in Elsevier Guo, Shi-Hong ELSEVIER Biological mechanisms of cadmium accumulation in edible Amaranth ( 2020 an international journal New York, NY [u.a.] (DE-627)ELV004090616 volume:75 year:2014 number:3 pages:391-396 extent:6 https://doi.org/10.1016/j.jpcs.2013.11.008 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U FID-BIODIV SSG-OLC-PHA SSG-OPC-FOR 48.00 Land- und Forstwirtschaft: Allgemeines VZ AR 75 2014 3 391-396 6 045F 530 |
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10.1016/j.jpcs.2013.11.008 doi GBVA2014022000006.pica (DE-627)ELV018030971 (ELSEVIER)S0022-3697(13)00377-6 DE-627 ger DE-627 rakwb eng 530 540 530 DE-600 540 DE-600 333.7 570 690 VZ BIODIV DE-30 fid 48.00 bkl Zhu, Xingfeng verfasserin aut Pressure and disorder effects on the half-metallic character and magnetic properties of the full-Heusler alloy Co2FeSi 2014transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. Electronic structure Elsevier Half-metal Elsevier Atomic disorder Elsevier Magnetic properties Elsevier Wang, Yaxu oth Wang, Lu oth Dai, Yafei oth Luo, Chenglin oth Enthalten in Elsevier Guo, Shi-Hong ELSEVIER Biological mechanisms of cadmium accumulation in edible Amaranth ( 2020 an international journal New York, NY [u.a.] (DE-627)ELV004090616 volume:75 year:2014 number:3 pages:391-396 extent:6 https://doi.org/10.1016/j.jpcs.2013.11.008 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U FID-BIODIV SSG-OLC-PHA SSG-OPC-FOR 48.00 Land- und Forstwirtschaft: Allgemeines VZ AR 75 2014 3 391-396 6 045F 530 |
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10.1016/j.jpcs.2013.11.008 doi GBVA2014022000006.pica (DE-627)ELV018030971 (ELSEVIER)S0022-3697(13)00377-6 DE-627 ger DE-627 rakwb eng 530 540 530 DE-600 540 DE-600 333.7 570 690 VZ BIODIV DE-30 fid 48.00 bkl Zhu, Xingfeng verfasserin aut Pressure and disorder effects on the half-metallic character and magnetic properties of the full-Heusler alloy Co2FeSi 2014transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. Electronic structure Elsevier Half-metal Elsevier Atomic disorder Elsevier Magnetic properties Elsevier Wang, Yaxu oth Wang, Lu oth Dai, Yafei oth Luo, Chenglin oth Enthalten in Elsevier Guo, Shi-Hong ELSEVIER Biological mechanisms of cadmium accumulation in edible Amaranth ( 2020 an international journal New York, NY [u.a.] (DE-627)ELV004090616 volume:75 year:2014 number:3 pages:391-396 extent:6 https://doi.org/10.1016/j.jpcs.2013.11.008 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U FID-BIODIV SSG-OLC-PHA SSG-OPC-FOR 48.00 Land- und Forstwirtschaft: Allgemeines VZ AR 75 2014 3 391-396 6 045F 530 |
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10.1016/j.jpcs.2013.11.008 doi GBVA2014022000006.pica (DE-627)ELV018030971 (ELSEVIER)S0022-3697(13)00377-6 DE-627 ger DE-627 rakwb eng 530 540 530 DE-600 540 DE-600 333.7 570 690 VZ BIODIV DE-30 fid 48.00 bkl Zhu, Xingfeng verfasserin aut Pressure and disorder effects on the half-metallic character and magnetic properties of the full-Heusler alloy Co2FeSi 2014transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. Electronic structure Elsevier Half-metal Elsevier Atomic disorder Elsevier Magnetic properties Elsevier Wang, Yaxu oth Wang, Lu oth Dai, Yafei oth Luo, Chenglin oth Enthalten in Elsevier Guo, Shi-Hong ELSEVIER Biological mechanisms of cadmium accumulation in edible Amaranth ( 2020 an international journal New York, NY [u.a.] (DE-627)ELV004090616 volume:75 year:2014 number:3 pages:391-396 extent:6 https://doi.org/10.1016/j.jpcs.2013.11.008 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U FID-BIODIV SSG-OLC-PHA SSG-OPC-FOR 48.00 Land- und Forstwirtschaft: Allgemeines VZ AR 75 2014 3 391-396 6 045F 530 |
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10.1016/j.jpcs.2013.11.008 doi GBVA2014022000006.pica (DE-627)ELV018030971 (ELSEVIER)S0022-3697(13)00377-6 DE-627 ger DE-627 rakwb eng 530 540 530 DE-600 540 DE-600 333.7 570 690 VZ BIODIV DE-30 fid 48.00 bkl Zhu, Xingfeng verfasserin aut Pressure and disorder effects on the half-metallic character and magnetic properties of the full-Heusler alloy Co2FeSi 2014transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. Electronic structure Elsevier Half-metal Elsevier Atomic disorder Elsevier Magnetic properties Elsevier Wang, Yaxu oth Wang, Lu oth Dai, Yafei oth Luo, Chenglin oth Enthalten in Elsevier Guo, Shi-Hong ELSEVIER Biological mechanisms of cadmium accumulation in edible Amaranth ( 2020 an international journal New York, NY [u.a.] (DE-627)ELV004090616 volume:75 year:2014 number:3 pages:391-396 extent:6 https://doi.org/10.1016/j.jpcs.2013.11.008 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U FID-BIODIV SSG-OLC-PHA SSG-OPC-FOR 48.00 Land- und Forstwirtschaft: Allgemeines VZ AR 75 2014 3 391-396 6 045F 530 |
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Enthalten in Biological mechanisms of cadmium accumulation in edible Amaranth ( New York, NY [u.a.] volume:75 year:2014 number:3 pages:391-396 extent:6 |
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Enthalten in Biological mechanisms of cadmium accumulation in edible Amaranth ( New York, NY [u.a.] volume:75 year:2014 number:3 pages:391-396 extent:6 |
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Biological mechanisms of cadmium accumulation in edible Amaranth ( |
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Zhu, Xingfeng @@aut@@ Wang, Yaxu @@oth@@ Wang, Lu @@oth@@ Dai, Yafei @@oth@@ Luo, Chenglin @@oth@@ |
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Pressure and disorder effects on the half-metallic character and magnetic properties of the full-Heusler alloy Co2FeSi |
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We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. |
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We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. |
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We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe–Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe–Co type disorder leads to degradation of the magnetism while the Fe–Si type disorder affects hardly the magnetism as observed in Co2FeSi. |
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Pressure and disorder effects on the half-metallic character and magnetic properties of the full-Heusler alloy Co2FeSi |
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