Can I use CASE statement in a JOIN condition?

A CASE expression returns a value from the THEN portion of the clause.

You could use it thusly: 

SELECT  * 
FROM    sys.indexes i 
    JOIN sys.partitions p 
        ON i.index_id = p.index_id  
    JOIN sys.allocation_units a 
        ON CASE 
           WHEN a.type IN (1, 3) AND a.container_id = p.hobt_id THEN 1
           WHEN a.type IN (2) AND a.container_id = p.partition_id THEN 1
           ELSE 0
           END = 1