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Determination of molecular energies via variational-based quantum imaginary time evolution in a superconducting qubit system

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Science China(Physics,Mechanics & Astronomy) 2024年第4期67卷 1-11页

作者： Zhiwen Zong Sainan Huai Tianqi Cai Wenyan Jin Ze Zhan Zhenxing Zhang kunliang bu Liyang Sui Ying Fei Yicong Zheng Shengyu Zhang Jianlan Wu Yi Yin Zhejiang Province Key Laboratory of Quantum Technology and Device School of PhysicsZhejiang UniversityHangzhou 310027China Tencent Quantum Laboratory Shenzhen 518057China

As a valid tool for solving ground state problems,imaginary time evolution(ITE)is widely used in physical and chemical *** ITE-based algorithms in their quantum counterpart have recently been proposed and applied to some real *** experimentally realize the variational-based quantum imaginary time evolution(QITE)algorithm to simulate the ground state energy of hydrogen(H_2)and lithium hydride(Li H)molecules in a superconducting qubit *** H_2 molecule is directly simulated using the 3-qubit circuit with unitary-coupled clusters(UCC)*** also combine QITE with the cluster mean-field(CMF)method to obtain an effective *** Li H molecule is correspondingly simulated using the 3-qubit circuit with hardware-efficient *** comparison,the Li H molecule is also directly simulated using the 4-qubit circuit with UCC ansatz at the equilibrium *** the experimental results show a convergence within 4 iterations,with high-fidelity ground state energy *** a more complex system in the future,the CMF may allow further grouping of interactions to obtain an effective Hamiltonian,then the hybrid QITE algorithm can possibly simulate a relatively large-scale system with fewer qubits.

关键词： quantum computation quantum algorithm superconducting qubit

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Visualizing the charge order and topological defects in an overdoped （Bi,Pb）2Sr2CuO6+x superconductor

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Science China(Physics,Mechanics & Astronomy) 2020年第2期63卷 117-123页

作者： Ying Fei Yuan Zheng kunliang bu WenHao Zhang Ying Ding XingJiang Zhou Yi Yin Department of Physics Zhejiang UniversityHangzhou 310027China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China Collaborative Innovation Center of Quantum Matter Beijing 100871China Collaborative Innovation Center of Advanced Microstructures Nanjing UniversityNanjing 210093China

Electronic charge order is a symmetry breaking state in high-Tc cuprate superconductors. In scanning tunneling microscopy, the detected charge-order-induced modulation is an electronic response of the charge order. For an overdoped(Bi,Pb)2Sr2CuO6+x sample, we apply scanning tunneling microscopy to explore local properties of the charge order. The ordering wavevector is nondispersive with energy, which can be confirmed and determined. By extracting its order-parameter field, we identify dislocations in the stripe structure of the electronic modulation, which correspond to topological defects with an integer winding number of ±1. Through differential conductance maps over a series of reduced energies, the development of different response of the charge order is observed and a spatial evolution of topological defects is detected. The intensity of charge-order-induced modulation increases with energy and reaches its maximum when approaching the pseudogap energy. In this evolution, the topological defects decrease in density and migrate in space. Furthermore, we observe appearance and disappearance of closely spaced pairs of defects as energy changes. Our experimental results could inspire further studies of the charge order in both high-Tccuprate superconductors and other charge density wave materials.

关键词： cuprate superconductors scanning tunneling microscopy charge order topological defects

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Electronic effect of doped oxygen atoms in Bi2201 superconductors determined by scanning tunneling microscopy

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Science China(Physics,Mechanics & Astronomy) 2018年第12期61卷 30-36页

作者： Ying Fei kunliang bu WenHao Zhang Yuan Zheng Xuan Sun Ying Ding XingJiang Zhou Yi Yin Department of Physics Zhejiang UniversityHangzhou 310027China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China Collaborative Innovation Center of Quantum Matter Beijing 100871China Collaborative Innovation Center of Advanced Microstructures Nanjing 210093China

Oxygen dopants are essential for tuning the electronic properties of the cuprate superconductors Bi_2Sr_2Ca_(n-1)Cu_nO_(2n+4+δ).Here,we study an optimally doped Bi_2Sr_(2-x)La_xCuO_(6+δ)and an overdoped Bi_(2-y)Pb_ySr_2CuO_(6+δ)by scanning tunneling microscopy and spectroscopy(STM/STS).Based on the characteristic features of local STS,three forms of oxygen dopants are identified:interstitial oxygen atoms on the SrO layers,oxygen vacancies on the SrO layers,and interstitial oxygen atoms on the BiO *** both samples,the first form dominates the number of oxygen *** the extracted spatial distribution of the oxygen dopants,we calculate the dopant concentrations and estimate the average hole carrier *** magnitudes of the electronic pseudogap state in both samples are inhomogeneously distributed in *** statistical analysis on the spatial distributions of the oxygen dopants and the pseudogap magnitude demonstrates that the doped oxygen atoms on the SrO layers tend to suppress the nearby pseudogap magnitude.

关键词： cuprate superconductor scanning tunneling spectroscopy doping hole concentration pseudogap

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Modulation of electronic state in copper-intercalated 1T-TaS_(2)

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Nano Research 2022年第5期15卷 4327-4333页

作者： Wenhao Zhang Degong Ding Jingjing Gao kunliang bu Zongxiu Wu Li Wang Fangsen Li Wei Wang Xuan Luo Wenjian Lu Chuanhong Jin Yuping Sun Yi Yin Zhejiang Province Key Laboratory of Quantum Technology and Device Department of PhysicsZhejiang UniversityHangzhou 310027China State Key Laboratory of Silicon Materials School of Materials Science and EngineeringZhejiang UniversityHangzhou 310027China Key Laboratory of Materials Physics Institute of Solid State PhysicsHFIPSChinese Academy of SciencesHefei 230031China Vacuum Interconnected Nanotech Workstation(Nano-X) Suzhou Institute of Nano-Tech and Nano-Bionics(SINANO)Chinese Academy of Sciences(CAS)Suzhou 215123China High Magnetic Field Laboratory HFIPSChinese Academy of SciencesHefei 230031China Collaborative Innovation Center of Advanced Microstructures Nanjing UniversityNanjing 210093China

Intercalation is an effective method to modify physical properties and induce novel electronic states of transition metal dichalcogenide(TMD)***,it is difficult to reveal the microscopic electronic state evolution in the intercalated *** we successfully synthesize the copper-intercalated 1T-TaS_(2) and characterize the structural and electronic modification combining resistivity measurements,atomic-resolution scanning transmission electron microscopy(ADF-STEM),and scanning tunneling microscopy(STM).The intercalated Cu atom is determined to be directly below the Ta atom and suppresses the commensurate charge density wave(CCDW)*** specific electronic modulations are discovered in the near-commensurate(NC)CDW phase:the electron doping state near the defective star of Davids(SDs)in metallic domains and the spatial evolution of the Mott gap in insulating *** modulations reveal that intercalated Cu atoms act as a medium to enhance the interaction between intralayer SDs,in addition to the general charge transfer *** also solidifies the Mott foundation of the insulating gap in pristine *** intriguing electronic evolution in Cu-intercalated 1T-TaS_(2) will motivate further exploration of novel electronic states in the intercalated TMD materials.

关键词： intercalation scanning tunneling microscopy Mott insulator charge transfer electron doping

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