The Cs_(2)NaInCl_(6) double perovskite is one of the most promising lead-free perovskites due to its exceptional stability and straightforward synthesis.However,it faces challenges related to inefficient photoluminesc...The Cs_(2)NaInCl_(6) double perovskite is one of the most promising lead-free perovskites due to its exceptional stability and straightforward synthesis.However,it faces challenges related to inefficient photoluminescence.Doping and high pressure are employed to tailor the optical properties of Cs_(2)NaInCl_(6).Herein,Sb^(3+)doped Cs_(2)NaInCl_(6)(Sb^(3+):Cs_(2)NaInCl_(6)) was synthesized and it exhibits blue emission with a photoluminescence quantum yield of up to 37.3%.Further,by employing pressure tuning,a blue stable emission under a very wide range from 2.7 GPa to 9.8 GPa is realized in Sb^(3+):Cs_(2)NaInCl_(6).Subsequently,the emission intensity of Sb^(3+):Cs_(2)NaInCl_(6) experiences a significant increase(3.3 times)at 19.0 GPa.It is revealed that the pressure-induced distinct emissions can be attributed to the carrier self-trapping and detrapping between Cs_(2)NaInCl_(6) and Sb^(3+).Notably,the lattice compression in the cubic phase inevitably modifies the band gap of Sb^(3+):Cs_(2)NaInCl_(6).Our findings provide valuable insights into effects of the high pressure in further boosting unique emission characteristics but also offer promising opportunities for development of doped double perovskites with enhanced optical functionalities.展开更多
The recent discoveries of near-room-temperature superconductivity in clathrate hydrides present compelling evidence for the reliability of theory-orientated conventional superconductivity.Nevertheless,the harsh pressu...The recent discoveries of near-room-temperature superconductivity in clathrate hydrides present compelling evidence for the reliability of theory-orientated conventional superconductivity.Nevertheless,the harsh pressure conditions required to maintain such high T_(c)limit their practical applications.To address this challenge,we conducted extensive first-principles calculations to investigate the doping effect of the recently synthesized LaB_(8)clathrate,intending to design high-temperature superconductors at ambient pressure.Our results demonstrate that these clathrates are highly promising for high-temperature superconductivity owing to the coexistence of rigid boron covalent networks and the tunable density of states at the Fermi level.Remarkably,the predicted T_(c)of BaB_(8)could reach 62 K at ambient pressure,suggesting a significant improvement over the calculated T_(c)of 14 K in LaB_(8).Moreover,further calculations of the formation enthalpies suggest that BaB_(8)could be potentially synthesized under high-temperature and high-pressure conditions.These findings highlight the potential of doped boron clathrates as promising superconductors and provide valuable insights into the design of light-element clathrate superconductors.展开更多
Germanium diselenide(GeSe_(2))is a promising candidate for electronic devices because of its unique crystal structure and optoelectronic properties.However,the evolution of lattice and electronic structure ofβ-GeSe_(...Germanium diselenide(GeSe_(2))is a promising candidate for electronic devices because of its unique crystal structure and optoelectronic properties.However,the evolution of lattice and electronic structure ofβ-GeSe_(2)at high pressure is still uncertain.Here we prepared high-qualityβ-GeSe_(2)single crystals by chemical vapor transfer(CVT)technique and performed systematic experimental studies on the evolution of lattice structure and bandgap ofβ-GeSe_(2)under pressure.High-precision high-pressure ultra low frequency(ULF)Raman scattering and synchrotron angle-dispersive x-ray diffraction(ADXRD)measurements support that no structural phase transition exists under high pressure up to 13.80 GPa,but the structure ofβ-GeSe_(2)turns into a disordered state near 6.91 GPa and gradually becomes amorphous forming an irreversibly amorphous crystal at 13.80 GPa.Two Raman modes keep softening abnormally upon pressure.The bandgap ofβ-GeSe_(2)reduced linearly from 2.59 eV to 1.65 eV under pressure with a detectable narrowing of 36.5%,and the sample under pressure performs the piezochromism phenomenon.The bandgap after decompression is smaller than that in the atmospheric pressure environment,which is caused by incomplete recrystallization.These results enrich the insight into the structural and optical properties ofβ-GeSe_(2)and demonstrate the potential of pressure in modulating the material properties of two-dimensional(2D)Ge-based binary material.展开更多
基金supported by the National Key Research and Development Program of China(Grant Nos.2021YFA1400200 and2021YFA0718701)the National Natural Science Foundation of China(Grant Nos.U2032127,11904322,12104411,12174347)+4 种基金the Natural Science Foundation of Henan province of China(Grant No.202300410356)the China Postdoctoral Science Foundation(Grant Nos.2019M652560 and 2020M682326)the CAS Interdisciplinary Innovation Team(Grant No.JCTD-2019-01)the Postdoctoral Research Grant in Henan Province(Grant No.1902013)the Science Foundation for Highlevel Talents of Wuyi University(Grant No.2021AL019)。
文摘The Cs_(2)NaInCl_(6) double perovskite is one of the most promising lead-free perovskites due to its exceptional stability and straightforward synthesis.However,it faces challenges related to inefficient photoluminescence.Doping and high pressure are employed to tailor the optical properties of Cs_(2)NaInCl_(6).Herein,Sb^(3+)doped Cs_(2)NaInCl_(6)(Sb^(3+):Cs_(2)NaInCl_(6)) was synthesized and it exhibits blue emission with a photoluminescence quantum yield of up to 37.3%.Further,by employing pressure tuning,a blue stable emission under a very wide range from 2.7 GPa to 9.8 GPa is realized in Sb^(3+):Cs_(2)NaInCl_(6).Subsequently,the emission intensity of Sb^(3+):Cs_(2)NaInCl_(6) experiences a significant increase(3.3 times)at 19.0 GPa.It is revealed that the pressure-induced distinct emissions can be attributed to the carrier self-trapping and detrapping between Cs_(2)NaInCl_(6) and Sb^(3+).Notably,the lattice compression in the cubic phase inevitably modifies the band gap of Sb^(3+):Cs_(2)NaInCl_(6).Our findings provide valuable insights into effects of the high pressure in further boosting unique emission characteristics but also offer promising opportunities for development of doped double perovskites with enhanced optical functionalities.
基金supported by the Theoretical Physics Research Project of the National Natural Science Foundation of China(Grant No.12247177)the National Natural Science Foundation of China(Grant No.12004340)+1 种基金Zhengzhou Universitysupported by the National Supercomputing Centre in Zhengzhou。
文摘The recent discoveries of near-room-temperature superconductivity in clathrate hydrides present compelling evidence for the reliability of theory-orientated conventional superconductivity.Nevertheless,the harsh pressure conditions required to maintain such high T_(c)limit their practical applications.To address this challenge,we conducted extensive first-principles calculations to investigate the doping effect of the recently synthesized LaB_(8)clathrate,intending to design high-temperature superconductors at ambient pressure.Our results demonstrate that these clathrates are highly promising for high-temperature superconductivity owing to the coexistence of rigid boron covalent networks and the tunable density of states at the Fermi level.Remarkably,the predicted T_(c)of BaB_(8)could reach 62 K at ambient pressure,suggesting a significant improvement over the calculated T_(c)of 14 K in LaB_(8).Moreover,further calculations of the formation enthalpies suggest that BaB_(8)could be potentially synthesized under high-temperature and high-pressure conditions.These findings highlight the potential of doped boron clathrates as promising superconductors and provide valuable insights into the design of light-element clathrate superconductors.
基金the National Natural Science Foundation of China(Grant Nos.12004339,11874328,11904322,61804047,22071221,and 21905252)China Postdoctoral Science Foundation(Grant Nos.2018M640679 and 2019T120629)the Zhongyuan Academician Foundation(Grant No.ZYQR201810163)。
文摘Germanium diselenide(GeSe_(2))is a promising candidate for electronic devices because of its unique crystal structure and optoelectronic properties.However,the evolution of lattice and electronic structure ofβ-GeSe_(2)at high pressure is still uncertain.Here we prepared high-qualityβ-GeSe_(2)single crystals by chemical vapor transfer(CVT)technique and performed systematic experimental studies on the evolution of lattice structure and bandgap ofβ-GeSe_(2)under pressure.High-precision high-pressure ultra low frequency(ULF)Raman scattering and synchrotron angle-dispersive x-ray diffraction(ADXRD)measurements support that no structural phase transition exists under high pressure up to 13.80 GPa,but the structure ofβ-GeSe_(2)turns into a disordered state near 6.91 GPa and gradually becomes amorphous forming an irreversibly amorphous crystal at 13.80 GPa.Two Raman modes keep softening abnormally upon pressure.The bandgap ofβ-GeSe_(2)reduced linearly from 2.59 eV to 1.65 eV under pressure with a detectable narrowing of 36.5%,and the sample under pressure performs the piezochromism phenomenon.The bandgap after decompression is smaller than that in the atmospheric pressure environment,which is caused by incomplete recrystallization.These results enrich the insight into the structural and optical properties ofβ-GeSe_(2)and demonstrate the potential of pressure in modulating the material properties of two-dimensional(2D)Ge-based binary material.
