Flat electronic bands in condensed matter provide a rich avenue for exploring novel quantum phenomena. Here, we report an optical spectroscopy study of a topological hourglass semimetal Nb_(3)SiTe_(6) with the electri...Flat electronic bands in condensed matter provide a rich avenue for exploring novel quantum phenomena. Here, we report an optical spectroscopy study of a topological hourglass semimetal Nb_(3)SiTe_(6) with the electric field of the incident light parallel to its crystalline ab-plane. The ab-plane optical conductivity spectra of Nb_(3)SiTe_(6) single crystals exhibit a remarkable peak-like feature around 1.20 eV, which is mainly contributed by the direct optical transitions between the two ab-initio-calculation-derived flat bands along the momentum direction Z–U. Our results pave the way for investigating exotic quantum phenomena based on the flat bands in topological hourglass semimetals.展开更多
We propose an efficient implementation of combining dynamical mean field theory（DMFT） with electronic structural calculation based on the local density approximation（LDA）.The pseudo-potential-plane-wave method is ...We propose an efficient implementation of combining dynamical mean field theory（DMFT） with electronic structural calculation based on the local density approximation（LDA）.The pseudo-potential-plane-wave method is used in the LDA part,which enables it to be applied to large systems.The full loop self consistency of the charge density has been reached in our implementation,which allows us to compute the total energy related properties.The procedure of LDA＋DMFT is introduced in detail with a complete flow chart.We have also applied our code to study the electronic structure of several typical strong correlated materials,including cerium,americium and NiO.Our results fit quite well with both the experimental data and previous studies.展开更多
The layered transition metal chalcogenides have been a fertile land in solid state physics for many decades. Various MX2-type transition metal dichalcogenides, such as WTe2, IrTe2, and MoS2, have triggered great atten...The layered transition metal chalcogenides have been a fertile land in solid state physics for many decades. Various MX2-type transition metal dichalcogenides, such as WTe2, IrTe2, and MoS2, have triggered great attention recently, either for the discovery of novel phenomena or some extreme or exotic physical properties, or for their potential applications. PdTe2 is a superconductor in the class of transition metal dichalcogenides, and superconductivity is enhanced in its Cu- intercalated form, Cuo.05PdTe2. It is important to study the electronic structures of PdTe2 and its intercalated form in order to explore for new phenomena and physical properties and understand the related superconductivity enhancement mecha- nism. Here we report systematic high resolution angle-resolved photoemission （ARPES） studies on PdTe2 and Cuo.05PdTe2 single crystals, combined with the band structure calculations. We present in detail for the first time the complex multi-band Fermi surface topology and densely-arranged band structure of these compounds. By carefully examining the electronic structures of the two systems, we find that Cu-intercalation in PdTe2 results in electron-doping, which causes the band structure to shift downwards by nearly 16 meV in Cuo.05PdTe2. Our results lay a foundation for further exploration and investigation on PdTe2 and related superconductors.展开更多
High-resolution angle-resolved photoemission measurements are carried out on transition metal dichalcogenide PdTe2 that is a superconductor with a Tc at 1.7K. Combined with theoretical calculations, we discover for th...High-resolution angle-resolved photoemission measurements are carried out on transition metal dichalcogenide PdTe2 that is a superconductor with a Tc at 1.7K. Combined with theoretical calculations, we discover for the first time the existence of topologically nontrivial surface state with Dirac cone in PbTe2 superconductor. It is located at the Brillouin zone center and possesses helical spin texture. Distinct from the usual three-dimensional topological insulators where the Dirac cone of the surface state lies at the Fermi level, the Dirac point of the surface state in PdTe2 lies deeply below the Fermi level at - 1.75 eV binding energy and is well separated from the bulk states. The identification of topological surface state in PdTe2 superconductor deeply below the Fermi level provides a unique system to explore new phenomena and properties and opens a door for finding new topological materials in transition metal ehalcogenides.展开更多
Layered magnetic materials,such as MnBi_(2)Te_(4),have drawn much attention owing to their potential for realizing twodimensional(2D)magnetism and possible topological states.Recently,FeBi_(2)Te_(4),which is isostruct...Layered magnetic materials,such as MnBi_(2)Te_(4),have drawn much attention owing to their potential for realizing twodimensional(2D)magnetism and possible topological states.Recently,FeBi_(2)Te_(4),which is isostructural to MnBi_(2)Te_(4),has been synthesized in experiments,but its detailed magnetic ordering and band topology have not been clearly understood yet.Here,based on first-principles calculations,we investigate the magnetic and electronic properties of FeBi_(2)Te_(4)in bulk and 2D forms.We show that different from MnBi_(2)Te_(4),the magnetic ground states of bulk,single-layer,and bilayer FeBi_(2)Te_(4)all favor a 120°noncollinear antiferromagnetic ordering,and they are topologically trivial narrow-gap semiconductors.For the bilayer case,we find that a quantum anomalous Hall effect with a unit Chern number is realized in the ferromagnetic state,which may be achieved in experiment by an external magnetic field or by magnetic proximity coupling.Our work clarifies the physical properties of the new material system of FeBi_(2)Te_(4)and reveals it as a potential platform for studying magnetic frustration down to 2D limit as well as quantum anomalous Hall effect.展开更多
基金Project supported by the Guangdong Basic and Applied Basic Research Foundation (Grant No. 2021B1515130007)the National Natural Science Foundation of China (Grant Nos. U21A20432 and 52273077)+1 种基金the National Key Research and Development Program of China (Grant No. 2022YFA1403800)the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB33000000)。
文摘Flat electronic bands in condensed matter provide a rich avenue for exploring novel quantum phenomena. Here, we report an optical spectroscopy study of a topological hourglass semimetal Nb_(3)SiTe_(6) with the electric field of the incident light parallel to its crystalline ab-plane. The ab-plane optical conductivity spectra of Nb_(3)SiTe_(6) single crystals exhibit a remarkable peak-like feature around 1.20 eV, which is mainly contributed by the direct optical transitions between the two ab-initio-calculation-derived flat bands along the momentum direction Z–U. Our results pave the way for investigating exotic quantum phenomena based on the flat bands in topological hourglass semimetals.
基金Project supported by the National Basic Research Program of China(Grant No.2011CBA00108)the National Natural Science Foundation of China(Grants Nos.10876042 and 10874158)+1 种基金the Development Foundation of China Academy of Engineering Physics(Grants Nos.2008A0101001 and 2010A0101001)the Fund of the Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics,China Academy of Engineering Physics(Grant No.2011-056000-0833F)
文摘We propose an efficient implementation of combining dynamical mean field theory（DMFT） with electronic structural calculation based on the local density approximation（LDA）.The pseudo-potential-plane-wave method is used in the LDA part,which enables it to be applied to large systems.The full loop self consistency of the charge density has been reached in our implementation,which allows us to compute the total energy related properties.The procedure of LDA＋DMFT is introduced in detail with a complete flow chart.We have also applied our code to study the electronic structure of several typical strong correlated materials,including cerium,americium and NiO.Our results fit quite well with both the experimental data and previous studies.
基金Project supported by the National Natural Science Foundation of China(Grant No.11190022)the National Basic Research Program of China(Grant Nos.2011CB921703 and 2011CBA00110)the Strategic Priority Research Program(B)of the Chinese Academy of Sciences(Grant No.XDB07020300)
文摘The layered transition metal chalcogenides have been a fertile land in solid state physics for many decades. Various MX2-type transition metal dichalcogenides, such as WTe2, IrTe2, and MoS2, have triggered great attention recently, either for the discovery of novel phenomena or some extreme or exotic physical properties, or for their potential applications. PdTe2 is a superconductor in the class of transition metal dichalcogenides, and superconductivity is enhanced in its Cu- intercalated form, Cuo.05PdTe2. It is important to study the electronic structures of PdTe2 and its intercalated form in order to explore for new phenomena and physical properties and understand the related superconductivity enhancement mecha- nism. Here we report systematic high resolution angle-resolved photoemission （ARPES） studies on PdTe2 and Cuo.05PdTe2 single crystals, combined with the band structure calculations. We present in detail for the first time the complex multi-band Fermi surface topology and densely-arranged band structure of these compounds. By carefully examining the electronic structures of the two systems, we find that Cu-intercalation in PdTe2 results in electron-doping, which causes the band structure to shift downwards by nearly 16 meV in Cuo.05PdTe2. Our results lay a foundation for further exploration and investigation on PdTe2 and related superconductors.
基金the National Natural Science Foundation of China under Grant Nos 11190022,11274359 and 11422428the National Basic Research Program of China under Grant Nos 2011CB921703,2011CBA00110,2011CBA00108 and 2013CB921700the Strategic Priority Research Program(B)of the Chinese Academy of Sciences under Grant Nos XDB07020300 and XDB07020100
文摘High-resolution angle-resolved photoemission measurements are carried out on transition metal dichalcogenide PdTe2 that is a superconductor with a Tc at 1.7K. Combined with theoretical calculations, we discover for the first time the existence of topologically nontrivial surface state with Dirac cone in PbTe2 superconductor. It is located at the Brillouin zone center and possesses helical spin texture. Distinct from the usual three-dimensional topological insulators where the Dirac cone of the surface state lies at the Fermi level, the Dirac point of the surface state in PdTe2 lies deeply below the Fermi level at - 1.75 eV binding energy and is well separated from the bulk states. The identification of topological surface state in PdTe2 superconductor deeply below the Fermi level provides a unique system to explore new phenomena and properties and opens a door for finding new topological materials in transition metal ehalcogenides.
基金funding support from the Singapore MOE Ac RF 308 Tier 2(Grant No.T2EP50220-0026)funding support from Shandong Provincial Natural Science Foundation(Grant No.ZR2023QA012)+3 种基金the Special Fund-ing in the Project of Qilu Young Scholar Program of Shandong Universityfunding support from Australian Research Council Future Fellowship(Grant No.FT220100290)funding support from the AINSE postgraduate awardfunding support from the Research and Development Administration Office at the University of Macao(Grants Nos.MYRG2022-00088-IAPME and SRG2021-00003-IAPME)。
文摘Layered magnetic materials,such as MnBi_(2)Te_(4),have drawn much attention owing to their potential for realizing twodimensional(2D)magnetism and possible topological states.Recently,FeBi_(2)Te_(4),which is isostructural to MnBi_(2)Te_(4),has been synthesized in experiments,but its detailed magnetic ordering and band topology have not been clearly understood yet.Here,based on first-principles calculations,we investigate the magnetic and electronic properties of FeBi_(2)Te_(4)in bulk and 2D forms.We show that different from MnBi_(2)Te_(4),the magnetic ground states of bulk,single-layer,and bilayer FeBi_(2)Te_(4)all favor a 120°noncollinear antiferromagnetic ordering,and they are topologically trivial narrow-gap semiconductors.For the bilayer case,we find that a quantum anomalous Hall effect with a unit Chern number is realized in the ferromagnetic state,which may be achieved in experiment by an external magnetic field or by magnetic proximity coupling.Our work clarifies the physical properties of the new material system of FeBi_(2)Te_(4)and reveals it as a potential platform for studying magnetic frustration down to 2D limit as well as quantum anomalous Hall effect.
