5 results about "State density" patented technology

The invention provides a method and a system for determining the electronic state density of a material. The method comprises the following steps: generating a random number through a classic computer; an initial random state of the quantum bit is generated based on the random number through a quantum computer, time evolution processing of multiple time steps is carried out on the initial random state based on the Hamiltonian of the target material, and a measurement result corresponding to each time step of the auxiliary quantum bit in the time evolution processing process is determined; and determining the inner product of the random state and the initial random state corresponding to each time step length based on the measurement result corresponding to the auxiliary quantum bit in each time step length through a classic computer, and determining the electronic state density of the target material through the inner products of the random states and the initial random states corresponding to the plurality of time step lengths. By combining the advantages of exponential parallel processing and storage of a quantum computer and the data processing advantages of a classical computer, the data processing amount and resource consumption are reduced, and the processing time consumption is reduced.

The invention provides a method for regulating and controlling the photoelectric property of a two-dimensional Janus material based on a first principle and strain, and relates to the technical field of two-dimensional photoelectric material application, and the method is characterized in that VESTA and VASP are used for calculation, and then a material capable of improving the photoelectric property through strain is screened out. The method comprises the following specific steps: extracting a two-dimensional Janus material from a database, carrying out structural design, and converting a. Cif file into a. Vasp file format; performing structural relaxation on the material, and performing static self-consistent calculation; on the basis of parameter modification in S2, photoelectric property calculation is conducted on the stable material; and applying positive strain and negative strain to the material, repeating the step when the strain is not applied, calculating the state density, the energy band structure light absorption coefficient and the carrier mobility of the material, and comparing the property of the material after the strain is applied with the property of the material without the strain. According to the method, chemical substances are not needed in the whole implementation process, environmental pollution is avoided, time is saved, and meanwhile cost is saved.

The invention discloses a kp method-based stress-containing energy band and state density rapid calculation method, and belongs to the technical field of semiconductor device simulation. The method comprises the following steps: acquiring a k-point coordinate and a stress tensor of a target semiconductor material, and constructing a Hamiltonian matrix containing a stress item based on a kp method; by using the symmetry and energy band degeneracy characteristic of a kp method, matrix eigenvalue solving is converted into a one-element cubic equation rooting problem; the equation is solved to obtain energy band energy information, and energy band calculation is completed; calculating the state density, constructing a cubic unary equation taking a k vector as an independent variable, and solving to obtain k vector information corresponding to the isoenergy surface. According to the method, a pre-query table does not need to be constructed, on the premise that the calculation precision is not changed, the energy band calculation efficiency is improved, the speed of finding an isoenergetic surface in state density calculation is increased, the problems that a traditional method is low in calculation speed, large in storage occupation and limited in stress range are effectively solved, and the method is suitable for simulation of various semiconductor materials and various devices containing stress models.

This invention discloses a quantum computing method and system for calculating the local density of states (LDOS) of materials. The method includes: preparing an initial state for an auxiliary qubit to obtain a first superposition state; generating a random state for a data qubit to obtain a random quantum state; evolving to obtain a quantum entangled state one between the auxiliary qubit and the data qubit; performing a QFT transformation on the auxiliary qubit to obtain a quantum entangled state two and measuring it; if the measurement result is a zero state, the data qubit collapses into a quasi-eigenstate; mapping the probability distribution to the material's real space lattice to obtain the local density of states. The system includes a spectral range acquisition module, an energy sampling module, a quantum circuit generation module, a quantum execution module, and a data analysis and mapping module. This invention, through the execution of a single quantum circuit, parallelly completes the superposition and interference of all possible time evolutions, fundamentally avoiding the exponential problem in classical computing, and providing exponential acceleration potential for large-scale material-informed LDOS calculations.

The invention discloses a device interface state density and distribution extraction method, device and equipment, relates to the technical field of semiconductor device interface state characterization, and is used for solving the problems of insufficient precision and insufficient spatial analysis capability in the existing interface state characterization method. Comprising the following steps: establishing a physical model representing intrinsic electrical behaviors of a device, performing calibration to obtain a reference model, and determining carrier transport characteristic parameters; based on the reference model, analyzing the carrier mobility change caused by the interface state as a coulomb scattering center, and determining the density of the interface state; a transistor channel is equivalently discretized into a plurality of ballistic transmission units in the spatial dimension, and the non-uniform spatial distribution characteristic of an interface state in the channel is quantitatively represented according to carrier transport characteristic parameters and interface state density. According to the technical scheme provided by the invention, the density of the interface state can be accurately quantified, the spatial distribution of the interface state can be represented, and the accuracy and comprehensiveness of interface state representation are improved.