Mapping Intermediate Material Properties To Target Properties To Screen Materials

Abstract

A system for evaluating candidate materials for fabrication of integrated circuits includes a data processor coupled to a memory. Roughly described, the data processor is configured to: calculate and write to a first database, for each of a plurality of candidate materials, values for each property in a set of intermediate properties; calculate and write to a second database, values for a selected target property for various combinations of values for the intermediate properties and values describing candidate environments; and for a particular candidate material and a particular environment in combination, determine values for the intermediate properties for the candidate material by reference to the first database, and determine the value of the target property for the candidate material by querying the second database with, in combination, (1) the determined intermediate property values of the candidate material and (2) a value or values describing the particular environment.

1 . A system for evaluating candidate materials for fabrication of integrated circuits, the system comprising:
 a memory;   a data processor coupled to the memory, the data processor configured to:
 calculate values for a selected target property for each of a plurality of combinations of
 (a) values for each intermediate material property in a set of at least one intermediate material property, and 
 (b) values describing candidate environments for the material; and 
 
 write the calculated values to a database in a computer readable medium, 
   wherein each intermediate material property in the set of at least one intermediate material property affects the target property, but is substantially unaffected by the environment in which the material is used.   
     
     
         2 . A system for evaluating candidate materials for fabrication of integrated circuits, the system comprising:
 a memory;   a data processor coupled to the memory, the data processor configured to:
 calculate and write to a first database in a computer readable medium, for each of a plurality of candidate materials, values for each intermediate material property in a set of at least one intermediate material property; and 
 calculate and write to a second database in a computer readable medium, values for a selected target property for a plurality of combinations of values for the intermediate material properties and values describing candidate environments for the material. 
   
     
     
         3 . The system of  claim 2 , wherein the data processor is further configured to, for a particular candidate material and a particular environment in combination:
 determine values for the intermediate property or properties for the candidate material by reference to the first database, and   determine the value of the target property for the particular candidate material by querying the second database with, in combination, (1) the determined intermediate property value or values of the particular candidate material and (2) a value or values describing the particular environment.   
     
     
         4 . The system of  claim 2 , wherein the intermediate material properties in the set of at least one intermediate material property are material properties which affect the target property, but which are substantially unaffected by the environment in which the material is used. 
     
     
         5 . The system of  claim 2 , wherein the intermediate material property(s) include Eg and/or m*. 
     
     
         6 . The system of  claim 2 , wherein the target property is BTBT and/or DSDT. 
     
     
         7 . The system of  claim 2 , wherein calculating and writing to a first database includes use of an ab-initio modeling tool. 
     
     
         8 . The system of  claim 7 , wherein the ab-initio modeling tool is a DFT tool. 
     
     
         9 . The system of  claim 2 , wherein calculating and writing to a second database includes using a TCAD modeling tool. 
     
     
         10 . The system of  claim 2 , wherein the values describing the candidate environments include aspects of a design rule database. 
     
     
         11 . A system for evaluating candidate materials for fabrication of integrated circuits,
 for use with a first database in a computer readable medium, the first database relating each of a plurality of candidate materials with corresponding values for each intermediate material property in a set of at least one intermediate material property,   and for use further with a second database in a computer readable medium, the second database relating values of a target property with a plurality of combinations of (a) values for the intermediate material property or properties and (b) a value or values describing candidate environments for the material,   the system comprising:   a memory;   a data processor coupled to the memory, the data processor configured to, for a particular candidate material and a particular environment in combination:
 determine a value or values of the intermediate property or properties for the candidate material by reference to the first database, and 
 determine the value of the target property for the particular candidate material by querying the second database with, in combination, (a) the determined value or values for the intermediate material property or properties for the particular candidate material and (b) a value or values describing the particular environment. 
   
     
     
         12 . The system of  claim 11 , wherein the intermediate material properties in the set of at least one intermediate material property are material properties which affect the target property, but which are substantially unaffected by the environment in which the material is used. 
     
     
         13 . The system of  claim 11 , wherein the intermediate material property(s) include Eg and/or m*. 
     
     
         14 . The system of  claim 11 , wherein the target property is BTBT and/or DSDT. 
     
     
         15 . The system of  claim 11 , wherein the values describing the particular environment include aspects of a design rule database. 
     
     
         16 . The system of  claim 11 , wherein a particular intermediate property for the particular candidate material is not characterized in the first database,
 and wherein determining a value or values of the intermediate property or properties for the candidate material comprises combining the value or values of the intermediate property or properties of at least two materials that are characterized in the first database.   
     
     
         17 . The system of  claim 11 , wherein the combination of (a) the determined value or values for the intermediate material property or properties for the particular candidate material and (b) a value or values describing the particular environment, is not characterized in the second database,
 and wherein determining the value of the target property for the particular candidate material comprises combining the value or values of the target properties for at least two combinations of (a) the determined value or values for the intermediate material property or properties for the particular candidate material and (b) a value or values describing the particular environment, which combinations are characterized in the second database.   
     
     
         18 . A computer readable medium having stored thereon in a non-transitory manner, a plurality of software code portions defining logic for:
 calculating and writing to a first database in a computer readable medium, for each of a plurality of candidate materials, values for each intermediate material property in a set of at least one intermediate material property; and   calculating and writing to a second database in a computer readable medium, values for a selected target property for a plurality of combinations of values for the intermediate material properties and values describing candidate environments for the material.   
     
     
         19 . The system of  claim 18 , wherein the software code portions define further logic for, for a particular candidate material and a particular environment in combination:
 determining values for the intermediate property or properties for the candidate material by reference to the first database, and   determining the value of the target property for the particular candidate material by querying the second database with, in combination, (1) the determined intermediate property value or values of the particular candidate material and (2) a value or values describing the particular environment.   
     
     
         20 . A computer readable medium having stored thereon in a non-transitory manner,
 for use with a first database in a computer readable medium, the first database relating each of a plurality of candidate materials with corresponding values for each intermediate material property in a set of at least one intermediate material property,   and for use further with a second database in a computer readable medium, the second database relating values of a target property with a plurality of combinations of (a) values for the intermediate material property or properties and (b) a value or values describing candidate environments for the material,   a plurality of software code portions defining logic for, for a particular candidate material and a particular environment in combination:
 determining a value or values of the intermediate property or properties for the candidate material by reference to the first database, and 
 determining the value of the target property for the particular candidate material by querying the second database with, in combination, (a) the determined value or values for the intermediate material property or properties for the particular candidate material and (b) a value or values describing the particular environment.