Searching for two-dimensional（2 D） stable materials with direct band gap and high carrier mobility has attracted great attention for their electronic device applications.Using the first principles calculations and p...Searching for two-dimensional（2 D） stable materials with direct band gap and high carrier mobility has attracted great attention for their electronic device applications.Using the first principles calculations and particle swarm optimization（PSO） method,we predict a new 2 D stable material（HfNZ monolayer） with the global minimum of 2 D space.The HfNZ monolayer possesses direct band gap（～1.46 eV） and it is predicted to have high carrier mobilities(～103 cm2·V-1·s-1)from deformation potential theory.The direct band gap can be well maintained and flexibly modulated by applying an easily external strain under the strain conditions.In addition,the newly predicted HfN2 monolayer possesses good thermal,dynamical,and mechanical stabilities,which are verified by ab initio molecular dynamics simulations,phonon dispersion and elastic constants.These results demonstrate that HfN2 monolayer is a promising candidate in future microelectronic devices.展开更多
Global Positioning System (GPS) meteorology data variational assimilation can be reduced to the problem of a large-scale unconstrained optimization. Because the dimension of this problem is too large, most optimal alg...Global Positioning System (GPS) meteorology data variational assimilation can be reduced to the problem of a large-scale unconstrained optimization. Because the dimension of this problem is too large, most optimal algorithms cannot be performed. In order to make GPS/MET data assimilation able to satisfy the demand of numerical weather prediction, finding an algorithm with a great convergence rate of iteration will be the most important thing. A new method is presented that dynamically combines the limited memory BFGS (L-BFGS) method with the Hessian-free Newton(HFN) method, and it has a good rate of convergence in iteration. The numerical tests indicate that the computational efficiency of the method is better than the L-BFGS and HFN methods.展开更多
The material and electrical properties of HfO 2 hi gh-k gate dielectric are reported.In the first part,the band alignment of H fO 2 and (HfO 2) x(Al 2O 3) 1-x to (100)Si substrate and thei r thermal stability are stud...The material and electrical properties of HfO 2 hi gh-k gate dielectric are reported.In the first part,the band alignment of H fO 2 and (HfO 2) x(Al 2O 3) 1-x to (100)Si substrate and thei r thermal stability are studied by X-ray photoelectron spectroscopy and TEM.The energy gap of (HfO 2) x(Al 2O 3) 1-x,the valence band offset, and the conduction band offset between (HfO 2) x(Al 2O 3) 1-x and the Si substrate as functions of x are obtained based on the XPS results .Our XPS results also demonstrate that both the thermal stability and the resist ance to oxygen diffusion of HfO 2 are improved by adding Al to form Hf aluminat es.In the second part,a thermally stable and high quality HfN/HfO 2 gate stack is reported.Negligible changes in equivalent oxide thickness (EOT),gate leakage, and work function (close to Si mid-gap) of HfN/HfO 2 gate stack are demonstrat ed even after 1000℃ post-metal annealing(PMA),which is attributed to the super ior oxygen diffusion barrier of HfN as well as the thermal stability of the HfN/ HfO 2 interface.Therefore,even without surface nitridation prior to HfO 2 depo sition,the EOT of HfN/HfO 2 gate stack has been successfully scaled down to les s than 1nm after 1000℃ PMA with excellent leakage and long-term reliability.T he last part demonstrates a novel replacement gate process employing a HfN dummy gate and sub-1nm EOT HfO 2 gate dielectric.The excellent thermal stability of the HfN/HfO 2 gate stack enables its use in high temperature CMOS processes.Th e replacement of HfN with other metal gate materials with work functions adequat e for n- and p-MOS is facilitated by a high etch selectivity of HfN with respe ct to HfO 2,without any degradation to the EOT,gate leakage,or TDDB characteris tics of HfO 2.展开更多
基金Project supported by the National Natural Science Foundation(Grant No.U1404108)the Innovative Talents of Universities in Henan Province of China(Grant No.17HASTIT013)+1 种基金the Basic and Frontier Technology Research Program of Henan Province of China(Grant No.162300410056)the Key Scientific Research Projects of Higher Institutions in Henan Province of China(Grant No.19A140018).
文摘Searching for two-dimensional（2 D） stable materials with direct band gap and high carrier mobility has attracted great attention for their electronic device applications.Using the first principles calculations and particle swarm optimization（PSO） method,we predict a new 2 D stable material（HfNZ monolayer） with the global minimum of 2 D space.The HfNZ monolayer possesses direct band gap（～1.46 eV） and it is predicted to have high carrier mobilities(～103 cm2·V-1·s-1)from deformation potential theory.The direct band gap can be well maintained and flexibly modulated by applying an easily external strain under the strain conditions.In addition,the newly predicted HfN2 monolayer possesses good thermal,dynamical,and mechanical stabilities,which are verified by ab initio molecular dynamics simulations,phonon dispersion and elastic constants.These results demonstrate that HfN2 monolayer is a promising candidate in future microelectronic devices.
基金the National Excellent Youth Fund(Grant No.49825109)the CAS Key Innovation Direction Project(Grant No.KZCX2-208),and LASG Project.
文摘Global Positioning System (GPS) meteorology data variational assimilation can be reduced to the problem of a large-scale unconstrained optimization. Because the dimension of this problem is too large, most optimal algorithms cannot be performed. In order to make GPS/MET data assimilation able to satisfy the demand of numerical weather prediction, finding an algorithm with a great convergence rate of iteration will be the most important thing. A new method is presented that dynamically combines the limited memory BFGS (L-BFGS) method with the Hessian-free Newton(HFN) method, and it has a good rate of convergence in iteration. The numerical tests indicate that the computational efficiency of the method is better than the L-BFGS and HFN methods.
文摘The material and electrical properties of HfO 2 hi gh-k gate dielectric are reported.In the first part,the band alignment of H fO 2 and (HfO 2) x(Al 2O 3) 1-x to (100)Si substrate and thei r thermal stability are studied by X-ray photoelectron spectroscopy and TEM.The energy gap of (HfO 2) x(Al 2O 3) 1-x,the valence band offset, and the conduction band offset between (HfO 2) x(Al 2O 3) 1-x and the Si substrate as functions of x are obtained based on the XPS results .Our XPS results also demonstrate that both the thermal stability and the resist ance to oxygen diffusion of HfO 2 are improved by adding Al to form Hf aluminat es.In the second part,a thermally stable and high quality HfN/HfO 2 gate stack is reported.Negligible changes in equivalent oxide thickness (EOT),gate leakage, and work function (close to Si mid-gap) of HfN/HfO 2 gate stack are demonstrat ed even after 1000℃ post-metal annealing(PMA),which is attributed to the super ior oxygen diffusion barrier of HfN as well as the thermal stability of the HfN/ HfO 2 interface.Therefore,even without surface nitridation prior to HfO 2 depo sition,the EOT of HfN/HfO 2 gate stack has been successfully scaled down to les s than 1nm after 1000℃ PMA with excellent leakage and long-term reliability.T he last part demonstrates a novel replacement gate process employing a HfN dummy gate and sub-1nm EOT HfO 2 gate dielectric.The excellent thermal stability of the HfN/HfO 2 gate stack enables its use in high temperature CMOS processes.Th e replacement of HfN with other metal gate materials with work functions adequat e for n- and p-MOS is facilitated by a high etch selectivity of HfN with respe ct to HfO 2,without any degradation to the EOT,gate leakage,or TDDB characteris tics of HfO 2.
