We train a neural network to identify impurities in the experimental images obtained by the scanning tunneling microscope(STM)measurements.The neural network is first trained with a large number of simulated data and ...We train a neural network to identify impurities in the experimental images obtained by the scanning tunneling microscope(STM)measurements.The neural network is first trained with a large number of simulated data and then the trained neural network is applied to identify a set of experimental images taken at different voltages.We use the convolutional neural network to extract features from the images and also implement the attention mechanism to capture the correlations between images taken at different voltages.We note that the simulated data can capture the universal Friedel oscillation but cannot properly describe the non-universal physics short-range physics nearby an impurity,as well as noises in the experimental data.And we emphasize that the key of this approach is to properly deal with these differences between simulated data and experimental data.Here we show that even by including uncorrelated white noises in the simulated data,the performance of the neural network on experimental data can be significantly improved.To prevent the neural network from learning unphysical short-range physics,we also develop another method to evaluate the confidence of the neural network prediction on experimental data and to add this confidence measure into the loss function.We show that adding such an extra loss function can also improve the performance on experimental data.Our research can inspire future similar applications of machine learning on experimental data analysis.展开更多
We use scanning tunneling microscopy to study the temperature evolution of electronic structure in Ca_(3)Cu_(2)O_(4)Cl_(2) parent Mott insulator of cuprates. It is found that the upper Hubbard band moves towards the F...We use scanning tunneling microscopy to study the temperature evolution of electronic structure in Ca_(3)Cu_(2)O_(4)Cl_(2) parent Mott insulator of cuprates. It is found that the upper Hubbard band moves towards the Fermi energy with increasing temperature, while the charge transfer band remains basically unchanged. This leads to a reduction of the charge transfer gap size at high temperatures, and the rate of reduction is much faster than that of conventional semiconductors. Across the Neel temperature for antiferromagnetic order, there is no sudden change in the electronic structure. These results shed new light on the theoretical models about the parent Mott insulator of cuprates.展开更多
Oleanolic acid(OA) and echinocystic acid(EA), two naturally occurring pentacyclic oleanane triterpenes,are gaining increasing attention due to their promising pharmacological activities. Conjugation with amphiphilic ...Oleanolic acid(OA) and echinocystic acid(EA), two naturally occurring pentacyclic oleanane triterpenes,are gaining increasing attention due to their promising pharmacological activities. Conjugation with amphiphilic α(β)-cyclodextrin(CD) via "click chemistry" can improve their solubility and anti-HCV entry potency. In the present work,four water-soluble β-CD-pentacyclic triterpene conjugates were designed and synthesized, in which OA and EA was coupled to one of the primary hydroxyl groups of β-CD via ester and amide bonds. The structures of the conjugates were unambiguously determined by ~1H NMR, ^(13)C NMR and HRMS or MALDI-TOF-MS. All the conjugates showed lower hydrophobicity(AlogP) than their parent compounds and no significant cytotoxicity was found to HL-60, A549, Hela and Bel-7402 cells at concentrations up to 10 μmol/L. Further anti-HCV entry activity and mechanism studies are under way in our laboratory.展开更多
Cr_2Ge_2Te_6is an intrinsic ferromagnetic semiconductor with van der Waals type layered structure,thus represents a promising material for novel electronic and spintronic devices.Here we combine scanning tunneling mic...Cr_2Ge_2Te_6is an intrinsic ferromagnetic semiconductor with van der Waals type layered structure,thus represents a promising material for novel electronic and spintronic devices.Here we combine scanning tunneling microscopy and first-principles calculations to investigate the electronic structure of Cr_2Ge_2Te_6.Tunneling spectroscopy reveals a surprising large energy level shift and change of energy gap size across the ferromagnetic to paramagnetic phase transition,as well as a peculiar double-peak electronic state on the Cr-site defect.These features can be quantitatively explained by density functional theory calculations,which uncover a close relationship between the electronic structure and magnetic order.These findings shed important new lights on the microscopic electronic structure and origin of magnetic order in Cr_2Ge_2Te_6.展开更多
基金supported by Beijing Outstanding Scholar Programthe National Key Research and Development Program of China(Grant No. 2016YFA0301600)+3 种基金the National Natural Science Foundation of China(Grant No. 11734010)supported by a startup fund from UCSDsupported by the Fundamental Research Funds for the Central Universitiesthe Research Funds of Renmin University of China
文摘We train a neural network to identify impurities in the experimental images obtained by the scanning tunneling microscope(STM)measurements.The neural network is first trained with a large number of simulated data and then the trained neural network is applied to identify a set of experimental images taken at different voltages.We use the convolutional neural network to extract features from the images and also implement the attention mechanism to capture the correlations between images taken at different voltages.We note that the simulated data can capture the universal Friedel oscillation but cannot properly describe the non-universal physics short-range physics nearby an impurity,as well as noises in the experimental data.And we emphasize that the key of this approach is to properly deal with these differences between simulated data and experimental data.Here we show that even by including uncorrelated white noises in the simulated data,the performance of the neural network on experimental data can be significantly improved.To prevent the neural network from learning unphysical short-range physics,we also develop another method to evaluate the confidence of the neural network prediction on experimental data and to add this confidence measure into the loss function.We show that adding such an extra loss function can also improve the performance on experimental data.Our research can inspire future similar applications of machine learning on experimental data analysis.
基金supported by the National Key Research and Development Program of China (Grant No. 2017YFA0302900)the Basic Science Center Project of the National Natural Science Foundation of China (Grant No. 51788104)supported in part by the Beijing Advanced Innovation Center for Future Chip (ICFC)。
文摘We use scanning tunneling microscopy to study the temperature evolution of electronic structure in Ca_(3)Cu_(2)O_(4)Cl_(2) parent Mott insulator of cuprates. It is found that the upper Hubbard band moves towards the Fermi energy with increasing temperature, while the charge transfer band remains basically unchanged. This leads to a reduction of the charge transfer gap size at high temperatures, and the rate of reduction is much faster than that of conventional semiconductors. Across the Neel temperature for antiferromagnetic order, there is no sudden change in the electronic structure. These results shed new light on the theoretical models about the parent Mott insulator of cuprates.
基金supported by the National Natural Science Foundation of China (Nos. 81573269, 21572015, 21877007, 91753202 and 21702007)and the open funding of the State Key Laboratory of Phytochemistry and Plant Resources in West China
文摘Oleanolic acid(OA) and echinocystic acid(EA), two naturally occurring pentacyclic oleanane triterpenes,are gaining increasing attention due to their promising pharmacological activities. Conjugation with amphiphilic α(β)-cyclodextrin(CD) via "click chemistry" can improve their solubility and anti-HCV entry potency. In the present work,four water-soluble β-CD-pentacyclic triterpene conjugates were designed and synthesized, in which OA and EA was coupled to one of the primary hydroxyl groups of β-CD via ester and amide bonds. The structures of the conjugates were unambiguously determined by ~1H NMR, ^(13)C NMR and HRMS or MALDI-TOF-MS. All the conjugates showed lower hydrophobicity(AlogP) than their parent compounds and no significant cytotoxicity was found to HL-60, A549, Hela and Bel-7402 cells at concentrations up to 10 μmol/L. Further anti-HCV entry activity and mechanism studies are under way in our laboratory.
基金supported by the Basic Science Center Project of NSFC(51788104)the MOST of China(2015CB921000)+6 种基金the support from Tsinghua University Initiative Scientific Research Program and NSFC(11774196)S.H.Z.is supported by the National Postdoctoral Program for Innovative Talents of China(BX201600091)the China Postdoctoral Science Foundation(2017M610858)the support of the National Key Research and Development Program(2016YFA0300404)NSFC Grant(11674326)the Joint Funds of NSFC and the Chinese Academy of Sciences’Large-Scale Scientific Facility(U1432139)supported in part by the Beijing Advanced Innovation Center for Future Chip(ICFC)
文摘Cr_2Ge_2Te_6is an intrinsic ferromagnetic semiconductor with van der Waals type layered structure,thus represents a promising material for novel electronic and spintronic devices.Here we combine scanning tunneling microscopy and first-principles calculations to investigate the electronic structure of Cr_2Ge_2Te_6.Tunneling spectroscopy reveals a surprising large energy level shift and change of energy gap size across the ferromagnetic to paramagnetic phase transition,as well as a peculiar double-peak electronic state on the Cr-site defect.These features can be quantitatively explained by density functional theory calculations,which uncover a close relationship between the electronic structure and magnetic order.These findings shed important new lights on the microscopic electronic structure and origin of magnetic order in Cr_2Ge_2Te_6.
基金the National Program on Key Basic Research Project of China(973 Program)(2017YFA0302900)the Basic Science Center Project of the National Natural Science Foundation of China(51788104)supported in part by the Beijing Advanced Innovation Center for Future Chip(ICFC)。
